data_keystoneite_p63m _audit_creation_method 'SHELXL-2018/3' _shelx_SHELXL_version_number '2018/3' _chemical_name_systematic ? _chemical_name_common 'keystoneite' _chemical_melting_point ? _chemical_formula_moiety 'Fe0.94 Mg0.34 Mn0.21 Ni2.51 O18 Te6, 0.308(Mg4), 7.68(O)' _chemical_formula_sum 'Fe0.94 Mg1.58 Mn0.21 Ni2.51 O25.91 Te6' _chemical_formula_weight 1429.88 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'O' 'O' 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Mg' 'Mg' 0.1719 0.1771 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Fe' 'Fe' -1.1336 3.1974 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Ni' 'Ni' -3.0029 0.5091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Te' 'Te' -0.1759 6.3531 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Mn' 'Mn' -0.5299 2.8052 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _space_group_crystal_system hexagonal _space_group_IT_number 176 _space_group_name_H-M_alt 'P 63/m' _space_group_name_Hall '-P 6c' _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; loop_ _space_group_symop_operation_xyz 'x, y, z' '-y, x-y, z' '-x+y, -x, z' '-x, -y, z+1/2' 'y, -x+y, z+1/2' 'x-y, x, z+1/2' '-x, -y, -z' 'y, -x+y, -z' 'x-y, x, -z' 'x, y, -z-1/2' '-y, x-y, -z-1/2' '-x+y, -x, -z-1/2' _cell_length_a 9.3653(4) _cell_length_b 9.3653(4) _cell_length_c 7.6154(3) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 578.45(5) _cell_formula_units_Z 1 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 958 _cell_measurement_theta_min 11.6730 _cell_measurement_theta_max 76.5620 _exptl_crystal_description 'irregular needle' _exptl_crystal_colour 'orange' _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 4.105 _exptl_crystal_F_000 638 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.055 _exptl_crystal_size_mid 0.040 _exptl_crystal_size_min 0.022 _exptl_absorpt_coefficient_mu 67.926 _shelx_estimated_absorpt_T_min 0.118 _shelx_estimated_absorpt_T_max 0.316 _exptl_absorpt_correction_type 'numerical' _exptl_absorpt_correction_T_min 0.154 _exptl_absorpt_correction_T_max 0.410 _exptl_absorpt_process_details ? _exptl_absorpt_special_details ? _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 1.54184 _diffrn_radiation_type CuK\a _diffrn_source 'micro-focus sealed X-ray tube' _diffrn_measurement_device_type 'four-circle diffractometer' _diffrn_measurement_method '\w scans' _diffrn_detector_area_resol_mean 10.0000 _diffrn_reflns_number 2137 _diffrn_reflns_av_unetI/netI 0.0401 _diffrn_reflns_av_R_equivalents 0.0547 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -8 _diffrn_reflns_limit_k_max 10 _diffrn_reflns_limit_l_min -9 _diffrn_reflns_limit_l_max 6 _diffrn_reflns_theta_min 5.454 _diffrn_reflns_theta_max 76.758 _diffrn_reflns_theta_full 67.684 _diffrn_measured_fraction_theta_max 0.991 _diffrn_measured_fraction_theta_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 0.991 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 0.991 _diffrn_reflns_point_group_measured_fraction_full 1.000 _reflns_number_total 444 _reflns_number_gt 407 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_max . _reflns_Friedel_fraction_full . _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. ; _computing_data_collection 'CrysAlisPro 1.171.40.53a (Rigaku OD, 2019)' _computing_cell_refinement 'CrysAlisPro 1.171.40.53a (Rigaku OD, 2019)' _computing_data_reduction 'CrysAlisPro 1.171.40.53a (Rigaku OD, 2019)' _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' _computing_structure_refinement 'SHELXL-2018/3 (Sheldrick, 2018)' _computing_molecular_graphics 'Crystalmaker (Palmer, 2009)' _computing_publication_material ? _refine_special_details ? _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0932P)^2^+3.8932P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens . _refine_ls_hydrogen_treatment undef _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_number_reflns 444 _refine_ls_number_parameters 38 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0503 _refine_ls_R_factor_gt 0.0470 _refine_ls_wR_factor_ref 0.1360 _refine_ls_wR_factor_gt 0.1323 _refine_ls_goodness_of_fit_ref 1.057 _refine_ls_restrained_S_all 1.057 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Te1 Te 0.54139(10) 0.49914(10) 0.750000 0.0294(4) Uani 1 2 d S T P . . Ni1 Ni 0.666667 0.333333 0.4332(3) 0.0245(6) Uani 0.6267 3 d S T P . . Fe1 Fe 0.666667 0.333333 0.4332(3) 0.0245(6) Uani 0.2362 3 d S T P . . Mg1 Mg 0.666667 0.333333 0.4332(3) 0.0245(6) Uani 0.085 3 d S T P . . Mn1 Mn 0.666667 0.333333 0.4332(3) 0.0245(6) Uani 0.052 3 d S T P . . O1 O 0.4852(9) 0.3412(9) 0.5705(9) 0.0366(15) Uani 1 1 d . . . . . O2 O 0.3396(11) 0.5016(11) 0.750000 0.0272(17) Uani 1 2 d S T P . . Mg2 Mg 1.000000 1.000000 0.679(3) 0.028(3) Uani 0.3083 3 d S T P . . OW1 O 0.055(3) -0.135(3) 0.657(3) 0.045(8) Uiso 0.34(3) 1 d . . P . . OW2 O 0.198(3) 0.059(3) 0.503(4) 0.043(9) Uiso 0.30(4) 1 d . . P . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Te1 0.0334(5) 0.0336(6) 0.0225(6) 0.000 0.000 0.0177(4) Ni1 0.0293(8) 0.0293(8) 0.0150(11) 0.000 0.000 0.0146(4) Fe1 0.0293(8) 0.0293(8) 0.0150(11) 0.000 0.000 0.0146(4) Mg1 0.0293(8) 0.0293(8) 0.0150(11) 0.000 0.000 0.0146(4) Mn1 0.0293(8) 0.0293(8) 0.0150(11) 0.000 0.000 0.0146(4) O1 0.041(4) 0.044(4) 0.025(3) -0.005(3) 0.006(3) 0.022(3) O2 0.031(4) 0.031(4) 0.019(4) 0.000 0.000 0.015(4) Mg2 0.019(4) 0.019(4) 0.045(9) 0.000 0.000 0.0096(19) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Te1 O1 1.885(7) . ? Te1 O1 1.885(7) 10_557 ? Te1 O2 1.901(9) . ? Te1 O1 2.937(7) 4_665 ? Te1 O1 2.937(7) 7_666 ? Te1 O1 3.185(8) 12_667 ? Te1 O1 3.185(8) 3_665 ? Mg1 O1 2.028(7) 2_655 ? Mg1 O1 2.028(7) 3_665 ? Mg1 O1 2.028(7) . ? Mg1 O2 2.105(7) 7_666 ? Mg1 O2 2.105(7) 8_556 ? Mg1 O2 2.105(7) 9_656 ? Mg2 Mg2 1.07(4) 10_557 ? Mg2 OW1 1.60(3) 2_665 ? Mg2 OW1 1.60(3) 3_665 ? Mg2 OW1 1.60(2) 1_665 ? Mg2 OW1 2.02(3) 11_667 ? Mg2 OW1 2.02(3) 10_667 ? Mg2 OW1 2.02(3) 12_667 ? Mg2 OW2 2.13(3) 3_665 ? Mg2 OW2 2.13(3) 2_665 ? Mg2 OW2 2.13(3) 1_665 ? Mg2 OW2 2.16(3) 7_666 ? Mg2 OW2 2.16(3) 8_666 ? OW1 OW2 1.22(3) 8_556 ? OW1 OW1 1.41(5) 10_557 ? OW2 OW2 1.65(3) 8_556 ? OW2 OW2 1.65(3) 9_556 ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O1 Te1 O1 92.9(5) . 10_557 ? O1 Te1 O2 96.9(3) . . ? O1 Te1 O2 96.9(3) 10_557 . ? O1 Te1 O1 160.11(13) . 4_665 ? O1 Te1 O1 74.6(3) 10_557 4_665 ? O2 Te1 O1 69.89(19) . 4_665 ? O1 Te1 O1 74.6(3) . 7_666 ? O1 Te1 O1 160.11(13) 10_557 7_666 ? O2 Te1 O1 69.89(19) . 7_666 ? O1 Te1 O1 112.4(3) 4_665 7_666 ? O1 Te1 O1 103.7(3) . 12_667 ? O1 Te1 O1 67.3(3) 10_557 12_667 ? O2 Te1 O1 154.40(12) . 12_667 ? O1 Te1 O1 86.08(18) 4_665 12_667 ? O1 Te1 O1 130.2(2) 7_666 12_667 ? O1 Te1 O1 67.3(3) . 3_665 ? O1 Te1 O1 103.7(3) 10_557 3_665 ? O2 Te1 O1 154.40(12) . 3_665 ? O1 Te1 O1 130.2(2) 4_665 3_665 ? O1 Te1 O1 86.08(18) 7_666 3_665 ? O1 Te1 O1 50.8(2) 12_667 3_665 ? O1 Mg1 O1 95.8(3) 2_655 3_665 ? O1 Mg1 O1 95.8(3) 2_655 . ? O1 Mg1 O1 95.8(3) 3_665 . ? O1 Mg1 O2 169.0(3) 2_655 7_666 ? O1 Mg1 O2 93.4(3) 3_665 7_666 ? O1 Mg1 O2 89.0(3) . 7_666 ? O1 Mg1 O2 89.0(3) 2_655 8_556 ? O1 Mg1 O2 169.0(3) 3_665 8_556 ? O1 Mg1 O2 93.4(3) . 8_556 ? O2 Mg1 O2 80.9(3) 7_666 8_556 ? O1 Mg1 O2 93.4(3) 2_655 9_656 ? O1 Mg1 O2 89.0(3) 3_665 9_656 ? O1 Mg1 O2 169.0(3) . 9_656 ? O2 Mg1 O2 80.9(3) 7_666 9_656 ? O2 Mg1 O2 80.9(3) 8_556 9_656 ? O1 Mg1 Ni1 121.0(2) 2_655 10_556 ? O1 Mg1 Ni1 121.0(2) 3_665 10_556 ? O1 Mg1 Ni1 121.0(2) . 10_556 ? O2 Mg1 Ni1 48.48(17) 7_666 10_556 ? O2 Mg1 Ni1 48.48(17) 8_556 10_556 ? O2 Mg1 Ni1 48.49(17) 9_656 10_556 ? O1 Mg1 Te1 147.9(2) 2_655 7_666 ? O1 Mg1 Te1 106.9(2) 3_665 7_666 ? O1 Mg1 Te1 60.3(2) . 7_666 ? O2 Mg1 Te1 31.2(2) 7_666 7_666 ? O2 Mg1 Te1 72.8(2) 8_556 7_666 ? O2 Mg1 Te1 108.9(2) 9_656 7_666 ? Ni1 Mg1 Te1 65.43(4) 10_556 7_666 ? O1 Mg1 Te1 106.9(2) 2_655 9_656 ? O1 Mg1 Te1 60.3(2) 3_665 9_656 ? O1 Mg1 Te1 147.9(2) . 9_656 ? O2 Mg1 Te1 72.8(2) 7_666 9_656 ? O2 Mg1 Te1 108.9(2) 8_556 9_656 ? O2 Mg1 Te1 31.2(2) 9_656 9_656 ? Ni1 Mg1 Te1 65.43(4) 10_556 9_656 ? Te1 Mg1 Te1 103.93(4) 7_666 9_656 ? O1 Mg1 Te1 60.3(2) 2_655 8_556 ? O1 Mg1 Te1 147.9(2) 3_665 8_556 ? O1 Mg1 Te1 106.9(2) . 8_556 ? O2 Mg1 Te1 108.9(2) 7_666 8_556 ? O2 Mg1 Te1 31.2(2) 8_556 8_556 ? O2 Mg1 Te1 72.8(2) 9_656 8_556 ? Ni1 Mg1 Te1 65.43(4) 10_556 8_556 ? Te1 Mg1 Te1 103.93(4) 7_666 8_556 ? Te1 Mg1 Te1 103.93(4) 9_656 8_556 ? O1 Mg1 Te1 66.8(2) 2_655 3_665 ? O1 Mg1 Te1 29.0(2) 3_665 3_665 ? O1 Mg1 Te1 99.5(2) . 3_665 ? O2 Mg1 Te1 122.1(2) 7_666 3_665 ? O2 Mg1 Te1 153.5(2) 8_556 3_665 ? O2 Mg1 Te1 89.54(17) 9_656 3_665 ? Ni1 Mg1 Te1 135.53(3) 10_556 3_665 ? Te1 Mg1 Te1 133.66(4) 7_666 3_665 ? Te1 Mg1 Te1 70.487(10) 9_656 3_665 ? Te1 Mg1 Te1 122.26(3) 8_556 3_665 ? O1 Mg1 Te1 29.0(2) 2_655 2_655 ? O1 Mg1 Te1 99.5(2) 3_665 2_655 ? O1 Mg1 Te1 66.8(2) . 2_655 ? O2 Mg1 Te1 153.5(2) 7_666 2_655 ? O2 Mg1 Te1 89.54(17) 8_556 2_655 ? O2 Mg1 Te1 122.1(2) 9_656 2_655 ? Ni1 Mg1 Te1 135.53(3) 10_556 2_655 ? Te1 Mg1 Te1 122.26(3) 7_666 2_655 ? Te1 Mg1 Te1 133.66(4) 9_656 2_655 ? Te1 Mg1 Te1 70.487(10) 8_556 2_655 ? Te1 Mg1 Te1 74.71(5) 3_665 2_655 ? Te1 O1 Mg1 119.5(4) . . ? Te1 O1 Te1 105.4(3) . 7_666 ? Mg1 O1 Te1 82.9(2) . 7_666 ? Te1 O1 Te1 105.1(3) . 2_655 ? Mg1 O1 Te1 77.4(2) . 2_655 ? Te1 O1 Te1 149.0(2) 7_666 2_655 ? Te1 O1 Te1 73.5(2) . 3_665 ? Mg1 O1 Te1 52.22(17) . 3_665 ? Te1 O1 Te1 118.8(2) 7_666 3_665 ? Te1 O1 Te1 65.57(13) 2_655 3_665 ? Te1 O1 Te1 158.8(3) . 8_556 ? Mg1 O1 Te1 46.88(15) . 8_556 ? Te1 O1 Te1 89.95(16) 7_666 8_556 ? Te1 O1 Te1 59.13(11) 2_655 8_556 ? Te1 O1 Te1 86.38(13) 3_665 8_556 ? Te1 O2 Ni1 113.7(3) . 4_665 ? Te1 O2 Ni1 113.7(3) . 7_666 ? Ni1 O2 Ni1 83.0(3) 4_665 7_666 ? Te1 O2 Te1 173.5(4) . 3_565 ? Ni1 O2 Te1 70.9(2) 4_665 3_565 ? Ni1 O2 Te1 70.9(2) 7_666 3_565 ? Te1 O2 Te1 73.64(12) . 7_667 ? Ni1 O2 Te1 58.42(8) 4_665 7_667 ? Ni1 O2 Te1 138.4(3) 7_666 7_667 ? Te1 O2 Te1 106.26(12) 3_565 7_667 ? Te1 O2 Te1 73.64(12) . 7_666 ? Ni1 O2 Te1 138.4(3) 4_665 7_666 ? Ni1 O2 Te1 58.42(7) 7_666 7_666 ? Te1 O2 Te1 106.26(12) 3_565 7_666 ? Te1 O2 Te1 147.3(2) 7_667 7_666 ? Te1 O2 Te1 103.7(3) . 2_665 ? Ni1 O2 Te1 44.84(18) 4_665 2_665 ? Ni1 O2 Te1 44.84(18) 7_666 2_665 ? Te1 O2 Te1 82.78(18) 3_565 2_665 ? Te1 O2 Te1 93.75(14) 7_667 2_665 ? Te1 O2 Te1 93.75(14) 7_666 2_665 ? Mg2 Mg2 OW1 96.0(11) 10_557 2_665 ? Mg2 Mg2 OW1 96.0(11) 10_557 3_665 ? OW1 Mg2 OW1 118.9(4) 2_665 3_665 ? Mg2 Mg2 OW1 96.0(11) 10_557 1_665 ? OW1 Mg2 OW1 118.9(4) 2_665 1_665 ? OW1 Mg2 OW1 118.9(4) 3_665 1_665 ? Mg2 Mg2 OW1 52.0(8) 10_557 11_667 ? OW1 Mg2 OW1 44.0(15) 2_665 11_667 ? OW1 Mg2 OW1 117.1(7) 3_665 11_667 ? OW1 Mg2 OW1 117.1(7) 1_665 11_667 ? Mg2 Mg2 OW1 52.0(8) 10_557 10_667 ? OW1 Mg2 OW1 117.1(7) 2_665 10_667 ? OW1 Mg2 OW1 117.1(7) 3_665 10_667 ? OW1 Mg2 OW1 44.0(15) 1_665 10_667 ? OW1 Mg2 OW1 86.1(12) 11_667 10_667 ? Mg2 Mg2 OW1 52.0(8) 10_557 12_667 ? OW1 Mg2 OW1 117.1(7) 2_665 12_667 ? OW1 Mg2 OW1 44.0(15) 3_665 12_667 ? OW1 Mg2 OW1 117.1(7) 1_665 12_667 ? OW1 Mg2 OW1 86.1(12) 11_667 12_667 ? OW1 Mg2 OW1 86.1(12) 10_667 12_667 ? Mg2 Mg2 OW2 129.2(8) 10_557 3_665 ? OW1 Mg2 OW2 134.8(15) 2_665 3_665 ? OW1 Mg2 OW2 63.6(12) 3_665 3_665 ? OW1 Mg2 OW2 62.8(12) 1_665 3_665 ? OW1 Mg2 OW2 178.7(13) 11_667 3_665 ? OW1 Mg2 OW2 94.5(10) 10_667 3_665 ? OW1 Mg2 OW2 95.1(10) 12_667 3_665 ? Mg2 Mg2 OW2 129.2(8) 10_557 2_665 ? OW1 Mg2 OW2 63.6(12) 2_665 2_665 ? OW1 Mg2 OW2 62.8(12) 3_665 2_665 ? OW1 Mg2 OW2 134.8(15) 1_665 2_665 ? OW1 Mg2 OW2 95.1(10) 11_667 2_665 ? OW1 Mg2 OW2 178.7(13) 10_667 2_665 ? OW1 Mg2 OW2 94.5(9) 12_667 2_665 ? OW2 Mg2 OW2 84.3(12) 3_665 2_665 ? Mg2 Mg2 OW2 129.2(8) 10_557 1_665 ? OW1 Mg2 OW2 62.8(12) 2_665 1_665 ? OW1 Mg2 OW2 134.8(15) 3_665 1_665 ? OW1 Mg2 OW2 63.6(12) 1_665 1_665 ? OW1 Mg2 OW2 94.5(10) 11_667 1_665 ? OW1 Mg2 OW2 95.1(10) 10_667 1_665 ? OW1 Mg2 OW2 178.7(13) 12_667 1_665 ? OW2 Mg2 OW2 84.3(12) 3_665 1_665 ? OW2 Mg2 OW2 84.3(12) 2_665 1_665 ? Mg2 Mg2 OW2 130.0(8) 10_557 7_666 ? OW1 Mg2 OW2 108.7(13) 2_665 7_666 ? OW1 Mg2 OW2 34.0(11) 3_665 7_666 ? OW1 Mg2 OW2 107.9(13) 1_665 7_666 ? OW1 Mg2 OW2 134.6(10) 11_667 7_666 ? OW1 Mg2 OW2 133.8(10) 10_667 7_666 ? OW1 Mg2 OW2 78.0(10) 12_667 7_666 ? OW2 Mg2 OW2 45.3(4) 3_665 7_666 ? OW2 Mg2 OW2 45.3(4) 2_665 7_666 ? OW2 Mg2 OW2 100.8(12) 1_665 7_666 ? Mg2 Mg2 OW2 130.0(8) 10_557 8_666 ? OW1 Mg2 OW2 107.9(13) 2_665 8_666 ? OW1 Mg2 OW2 108.7(13) 3_665 8_666 ? OW1 Mg2 OW2 34.0(11) 1_665 8_666 ? OW1 Mg2 OW2 133.8(10) 11_667 8_666 ? OW1 Mg2 OW2 78.0(10) 10_667 8_666 ? OW1 Mg2 OW2 134.6(10) 12_667 8_666 ? OW2 Mg2 OW2 45.3(4) 3_665 8_666 ? OW2 Mg2 OW2 100.8(12) 2_665 8_666 ? OW2 Mg2 OW2 45.3(4) 1_665 8_666 ? OW2 Mg2 OW2 83.1(12) 7_666 8_666 ? OW2 OW1 OW1 177.1(17) 8_556 10_557 ? OW2 OW1 Mg2 99(2) 8_556 1_445 ? OW1 OW1 Mg2 84.0(11) 10_557 1_445 ? OW2 OW1 Mg2 131(2) 8_556 10_447 ? OW1 OW1 Mg2 52.0(8) 10_557 10_447 ? Mg2 OW1 Mg2 32.0(12) 1_445 10_447 ? OW2 OW1 Te1 99.5(18) 8_556 3 ? OW1 OW1 Te1 78.4(4) 10_557 3 ? Mg2 OW1 Te1 145.6(13) 1_445 3 ? Mg2 OW1 Te1 123.2(10) 10_447 3 ? OW2 OW1 Te1 99.2(17) 8_556 2_655 ? OW1 OW1 Te1 79.0(4) 10_557 2_655 ? Mg2 OW1 Te1 111.3(11) 1_445 2_655 ? Mg2 OW1 Te1 100.7(8) 10_447 2_655 ? Te1 OW1 Te1 94.2(6) 3 2_655 ? OW2 OW1 Te1 41.3(15) 8_556 9_546 ? OW1 OW1 Te1 136.3(3) 10_557 9_546 ? Mg2 OW1 Te1 136.7(13) 1_445 9_546 ? Mg2 OW1 Te1 164.0(10) 10_447 9_546 ? Te1 OW1 Te1 58.7(4) 3 9_546 ? Te1 OW1 Te1 94.7(5) 2_655 9_546 ? OW2 OW1 Te1 100.2(17) 8_556 1_445 ? OW1 OW1 Te1 80.7(3) 10_557 1_445 ? Mg2 OW1 Te1 86.4(9) 1_445 1_445 ? Mg2 OW1 Te1 82.2(7) 10_447 1_445 ? Te1 OW1 Te1 61.9(4) 3 1_445 ? Te1 OW1 Te1 151.3(7) 2_655 1_445 ? Te1 OW1 Te1 86.1(4) 9_546 1_445 ? OW1 OW2 OW2 87(2) 9_556 8_556 ? OW1 OW2 OW2 88(2) 9_556 9_556 ? OW2 OW2 OW2 119.94(16) 8_556 9_556 ? OW1 OW2 Mg2 126(2) 9_556 1_445 ? OW2 OW2 Mg2 68.1(11) 8_556 1_445 ? OW2 OW2 Mg2 68.1(11) 9_556 1_445 ? OW1 OW2 Mg2 47.2(16) 9_556 7_666 ? OW2 OW2 Mg2 66.5(11) 8_556 7_666 ? OW2 OW2 Mg2 66.5(11) 9_556 7_666 ? Mg2 OW2 Mg2 79.2(12) 1_445 7_666 ? OW1 OW2 Te1 125.2(19) 9_556 2_655 ? OW2 OW2 Te1 99.4(15) 8_556 2_655 ? OW2 OW2 Te1 130.8(18) 9_556 2_655 ? Mg2 OW2 Te1 105.7(10) 1_445 2_655 ? Mg2 OW2 Te1 162.7(11) 7_666 2_655 ? OW1 OW2 Te1 62.5(16) 9_556 8_556 ? OW2 OW2 Te1 88.5(14) 8_556 8_556 ? OW2 OW2 Te1 138.5(19) 9_556 8_556 ? Mg2 OW2 Te1 152.8(10) 1_445 8_556 ? Mg2 OW2 Te1 104.7(10) 7_666 8_556 ? Te1 OW2 Te1 63.3(4) 2_655 8_556 ? OW1 OW2 Te1 63.6(16) 9_556 7_666 ? OW2 OW2 Te1 150(2) 8_556 7_666 ? OW2 OW2 Te1 57.1(13) 9_556 7_666 ? Mg2 OW2 Te1 124.3(9) 1_445 7_666 ? Mg2 OW2 Te1 87.7(8) 7_666 7_666 ? Te1 OW2 Te1 102.4(6) 2_655 7_666 ? Te1 OW2 Te1 82.9(5) 8_556 7_666 ? OW1 OW2 Te1 118.8(18) 9_556 . ? OW2 OW2 Te1 154(2) 8_556 . ? OW2 OW2 Te1 68.4(13) 9_556 . ? Mg2 OW2 Te1 96.4(9) 1_445 . ? Mg2 OW2 Te1 132.8(9) 7_666 . ? Te1 OW2 Te1 63.9(4) 2_655 . ? Te1 OW2 Te1 99.7(6) 8_556 . ? Te1 OW2 Te1 56.0(3) 7_666 . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag O1 Te1 O1 Mg1 -105.4(4) 10_557 . . . ? O2 Te1 O1 Mg1 157.3(4) . . . . ? O1 Te1 O1 Mg1 -155.8(3) 4_665 . . . ? O1 Te1 O1 Mg1 90.4(4) 7_666 . . . ? O1 Te1 O1 Mg1 -38.0(4) 12_667 . . . ? O1 Te1 O1 Mg1 -1.8(3) 3_665 . . . ? O1 Te1 O1 Te1 164.22(8) 10_557 . . 7_666 ? O2 Te1 O1 Te1 66.9(3) . . . 7_666 ? O1 Te1 O1 Te1 113.8(6) 4_665 . . 7_666 ? O1 Te1 O1 Te1 0.001(0) 7_666 . . 7_666 ? O1 Te1 O1 Te1 -128.4(3) 12_667 . . 7_666 ? O1 Te1 O1 Te1 -92.2(3) 3_665 . . 7_666 ? O1 Te1 O1 Te1 -21.5(4) 10_557 . . 2_655 ? O2 Te1 O1 Te1 -118.9(3) . . . 2_655 ? O1 Te1 O1 Te1 -72.0(6) 4_665 . . 2_655 ? O1 Te1 O1 Te1 174.2(4) 7_666 . . 2_655 ? O1 Te1 O1 Te1 45.81(13) 12_667 . . 2_655 ? O1 Te1 O1 Te1 82.06(17) 3_665 . . 2_655 ? O1 Te1 O1 Te1 -79.7(2) 10_557 . . 3_665 ? O2 Te1 O1 Te1 -177.0(2) . . . 3_665 ? O1 Te1 O1 Te1 -130.2(5) 4_665 . . 3_665 ? O1 Te1 O1 Te1 116.1(2) 7_666 . . 3_665 ? O1 Te1 O1 Te1 -12.39(10) 12_667 . . 3_665 ? O1 Te1 O1 Te1 23.87(14) 3_665 . . 3_665 ? O1 Te1 O1 Te1 -61.0(10) 10_557 . . 8_556 ? O2 Te1 O1 Te1 -158.3(8) . . . 8_556 ? O1 Te1 O1 Te1 -111.4(7) 4_665 . . 8_556 ? O1 Te1 O1 Te1 134.8(10) 7_666 . . 8_556 ? O1 Te1 O1 Te1 6.4(8) 12_667 . . 8_556 ? O1 Te1 O1 Te1 42.7(7) 3_665 . . 8_556 ? _refine_diff_density_max 0.970 _refine_diff_density_min -1.358 _refine_diff_density_rms 0.285 _shelx_res_file ; TITL basmom_a.res in P6(3)/m BASMOM.res created by SHELXL-2018/3 at 00:41:19 on 15-Jun-2020 REM Old TITL BASMOM in P6(3) REM SHELXT solution in P6(3)/m: R1 0.092, Rweak 0.009, Alpha 0.018 REM 0.471 for 5 systematic absences, Orientation as input REM Formula found by SHELXT: O11 Fe2 Te3 CELL 1.54184 9.3653 9.3653 7.6154 90 90 120 ZERR 1 0.0004 0.0004 0.0003 0 0 0 LATT 1 SYMM -Y,+X-Y,+Z SYMM +Y-X,-X,+Z SYMM -X,-Y,0.5+Z SYMM +Y,-X+Y,0.5+Z SYMM -Y+X,+X,0.5+Z SFAC O Mg Fe Ni Te Mn UNIT 25.9065 1.57992 0.94476 2.50692 6 0.20784 L.S. 10 PLAN 20 CONF EADP Mg1 Ni1 Fe1 Mn1 EXYZ Mg1 Ni1 Fe1 Mn1 CONN Te1 7 3.5 SIZE 0.055 0.040 0.022 BOND list 4 fmap 2 ACTA REM REM REM WGHT 0.093200 3.893200 FVAR 0.41640 0.68769 0.60071 TE1 5 0.541387 0.499141 0.750000 10.50000 0.03344 0.03359 = 0.02248 0.00000 0.00000 0.01767 NI1 4 0.666667 0.333333 0.433226 10.20891 0.02929 0.02929 = 0.01498 0.00000 0.00000 0.01465 FE1 3 0.666667 0.333333 0.433226 10.07873 0.02929 0.02929 = 0.01498 0.00000 0.00000 0.01465 MG1 2 0.666667 0.333333 0.433226 10.02833 0.02929 0.02929 = 0.01498 0.00000 0.00000 0.01465 MN1 6 0.666667 0.333333 0.433226 10.01732 0.02929 0.02929 = 0.01498 0.00000 0.00000 0.01465 O1 1 0.485152 0.341220 0.570511 11.00000 0.04116 0.04442 = 0.02543 -0.00458 0.00557 0.02228 O2 1 0.339642 0.501599 0.750000 10.50000 0.03090 0.03102 = 0.01939 0.00000 0.00000 0.01531 MG2 2 1.000000 1.000000 0.679422 10.10277 0.01921 0.01921 = 0.04530 0.00000 0.00000 0.00960 OW1 1 0.055428 -0.135276 0.657475 20.50000 0.04512 OW2 1 0.198259 0.059323 0.502554 30.50000 0.04278 HKLF 4 REM basmom_a.res in P6(3)/m REM wR2 = 0.1360, GooF = S = 1.057, Restrained GooF = 1.057 for all data REM R1 = 0.0470 for 407 Fo > 4sig(Fo) and 0.0503 for all 444 data REM 38 parameters refined using 0 restraints END WGHT 0.0793 3.9919 REM Highest difference peak 0.970, deepest hole -1.358, 1-sigma level 0.285 Q1 1 0.4555 0.4145 0.6313 11.00000 0.05 0.97 Q2 1 0.7617 0.4314 0.3220 11.00000 0.05 0.85 Q3 1 0.5399 0.5031 0.4946 11.00000 0.05 0.84 Q4 1 0.6071 0.5127 0.9010 11.00000 0.05 0.84 Q5 1 0.5712 0.2881 0.7500 10.50000 0.05 0.83 Q6 1 0.4346 0.2235 0.7500 10.50000 0.05 0.81 Q7 1 0.4832 0.6052 0.7500 10.50000 0.05 0.80 Q8 1 0.1977 0.1364 0.5449 11.00000 0.05 0.79 Q9 1 0.2609 0.0218 0.7500 10.50000 0.05 0.78 Q10 1 0.4074 0.4880 0.7500 10.50000 0.05 0.77 Q11 1 0.5120 0.5632 0.8721 11.00000 0.05 0.75 Q12 1 -0.0524 -0.3141 0.7500 10.50000 0.05 0.74 Q13 1 0.5199 0.4049 0.6359 11.00000 0.05 0.73 Q14 1 0.5156 0.2679 0.6428 11.00000 0.05 0.73 Q15 1 0.4000 0.2499 0.6624 11.00000 0.05 0.72 Q16 1 0.1048 -0.1492 0.7500 10.50000 0.05 0.72 Q17 1 0.0840 -0.1980 0.6607 11.00000 0.05 0.71 Q18 1 0.5904 0.3267 0.5829 11.00000 0.05 0.69 Q19 1 0.9307 1.0263 0.7500 10.50000 0.05 0.67 Q20 1 0.8318 0.3816 0.4516 11.00000 0.05 0.64 ; _shelx_res_checksum 39054 _shelx_hkl_file ; 0 0 -9 3.74 6.22 0 0 -8 827.87 48.90 0 0 -8 775.31 45.73 0 0 -7 6.48 9.34 0 0 -7 1.74 6.09 0 0 -7 1.28 7.96 0 0 -6 6863.01 329.00 0 0 -6 6870.61 329.93 0 0 -5 1.47 8.51 0 0 -4 6970.54 333.44 0 0 -3 -0.91 5.16 0 0 -2 7083.20 334.99 0 0 -1 2.70 2.78 -1 0 -9 63.11 8.83 1 0 -9 52.42 8.30 0 -1 -9 48.52 8.18 0 -1 -8 57.39 9.97 1 -1 -8 65.89 12.26 0 -1 -8 84.45 13.45 -1 0 -8 64.02 11.36 1 0 -8 63.85 12.03 -1 1 -8 67.90 11.60 0 1 -8 64.80 10.65 -1 1 -8 71.89 12.44 -1 0 -8 79.11 13.10 0 1 -7 75.87 12.05 -1 1 -7 86.88 13.79 -1 0 -7 84.42 13.98 1 -1 -7 73.10 9.95 0 -1 -7 72.93 12.84 1 0 -7 66.72 10.55 0 -1 -7 93.11 12.34 -1 0 -7 80.12 13.44 0 -1 -7 64.70 13.17 1 0 -7 82.02 13.29 -1 0 -7 75.70 12.55 1 -1 -7 65.22 10.85 -1 1 -7 82.33 13.43 -1 1 -6 1369.48 73.47 0 -1 -6 1399.52 73.84 0 1 -6 1363.37 73.23 1 -1 -6 1325.07 71.25 -1 0 -6 1439.87 74.24 -1 1 -6 1404.58 74.81 0 1 -6 1292.53 72.55 0 1 -6 1308.66 73.17 0 1 -6 1313.63 71.80 1 0 -6 1243.92 70.88 0 -1 -6 1353.11 73.37 -1 1 -6 1410.59 73.95 -1 0 -6 1468.49 75.31 -1 0 -6 1386.82 73.76 1 -1 -6 1327.85 71.78 1 -1 -5 0.94 7.85 -1 0 -5 2.53 6.03 -1 1 -5 7.89 5.62 -1 1 -5 1.58 6.95 -1 1 -5 -1.01 6.21 0 1 -5 0.49 7.56 -1 1 -5 2.09 8.27 1 -1 -5 4.11 6.37 0 -1 -4 802.68 49.17 -1 0 -4 773.61 47.02 -1 0 -3 467.12 33.00 -1 1 -3 451.85 28.66 0 -1 -3 431.75 31.99 1 0 -2 606.43 31.87 0 -1 -2 597.25 36.56 1 -1 -2 565.39 35.31 1 0 -1 27.06 5.60 0 -1 0 3221.48 151.34 1 0 0 3097.65 151.96 1 0 1 26.18 5.56 1 0 2 579.20 31.14 -2 1 -9 32.59 7.13 2 -1 -9 28.89 6.37 -1 -1 -9 28.87 6.33 1 -2 -9 36.24 6.81 -1 -1 -8 518.93 33.90 1 1 -8 492.59 32.85 1 -2 -8 525.82 33.99 2 -1 -8 496.39 32.89 -1 -1 -8 486.91 33.07 -2 1 -8 502.07 34.07 -1 2 -8 500.15 33.54 -2 1 -8 529.71 34.59 -1 -1 -8 537.82 33.57 -2 1 -7 48.40 11.49 -1 2 -7 43.34 11.83 1 1 -7 54.62 9.90 1 -2 -7 44.81 9.64 -2 1 -7 50.97 12.09 1 -2 -7 47.31 8.99 -1 -1 -7 44.54 11.40 1 1 -7 55.23 11.63 -1 -1 -7 53.15 11.81 -2 1 -7 50.93 13.62 -1 -1 -7 66.75 11.96 1 1 -6 19.22 9.07 -2 1 -6 34.45 11.00 -1 2 -6 23.39 10.14 -2 1 -6 26.54 10.57 1 1 -6 48.22 9.00 -1 2 -6 6.23 10.00 -1 -1 -6 21.46 9.72 -2 1 -6 18.09 9.28 2 -1 -6 44.40 9.78 -2 1 -5 34.71 8.16 2 -1 -5 22.29 8.16 2 -1 -5 30.01 7.81 1 -2 -5 26.93 8.88 -1 -1 -5 46.69 13.92 -2 1 -5 42.00 9.49 -1 2 -5 38.59 8.96 -1 2 -5 33.65 9.24 -1 -1 -4 701.25 49.13 -2 1 -4 608.61 44.82 1 -2 -4 648.76 47.41 1 1 -3 426.38 27.61 2 -1 -3 398.12 26.54 1 -2 -3 412.49 33.40 -1 -1 -3 495.59 36.69 1 1 -2 2153.39 110.01 1 -2 -2 2238.01 114.74 1 -2 -1 51.39 11.78 1 1 -1 49.05 9.13 1 1 0 270.00 20.62 1 1 1 38.95 9.09 1 1 2 2415.88 121.33 2 -1 3 305.53 19.83 2 0 -9 12.94 4.87 -2 0 -9 18.81 6.53 0 -2 -9 24.58 5.40 -2 2 -9 24.14 6.72 0 -2 -8 1587.80 84.68 0 -2 -8 1711.30 85.95 0 2 -8 1568.24 86.01 2 0 -8 1624.56 84.88 0 2 -8 1587.75 84.99 -2 0 -8 1687.96 87.73 -2 0 -8 1597.93 85.69 -2 2 -8 1745.46 87.93 -2 2 -8 1655.04 87.07 0 -2 -8 1606.40 84.69 -2 2 -7 8.25 9.36 0 2 -7 2.67 8.73 0 -2 -7 6.66 8.44 -2 0 -7 8.75 9.09 -2 2 -7 5.38 10.20 0 -2 -7 9.75 8.21 -2 0 -7 10.21 9.00 0 2 -7 1.31 8.16 2 0 -7 3.74 7.75 -2 0 -7 19.56 11.14 0 2 -7 1.38 10.75 0 2 -6 1869.34 100.55 0 2 -6 1841.77 100.25 -2 0 -6 2021.43 100.91 2 0 -6 1874.68 98.00 0 2 -6 1934.65 100.78 2 0 -6 1932.35 100.45 2 -2 -6 1981.41 100.45 -2 2 -6 2062.93 103.35 -2 0 -6 2139.20 103.06 -2 0 -6 2029.51 103.66 2 0 -6 1724.65 98.06 -2 2 -6 1941.46 101.76 2 0 -5 253.28 20.32 0 -2 -5 336.80 33.71 -2 2 -5 317.33 23.59 -2 0 -5 301.02 21.43 2 0 -5 289.41 21.67 -2 0 -5 264.53 29.65 -2 0 -5 277.70 21.81 2 0 -5 295.15 21.82 -2 2 -5 319.81 23.47 -2 2 -5 303.55 22.35 0 2 -5 303.92 22.16 2 -2 -5 305.16 21.86 0 2 -5 271.83 21.23 0 2 -5 278.34 22.42 0 -2 -4 5207.23 276.35 -2 0 -4 5779.72 279.86 0 -2 -3 619.42 42.06 0 2 -3 542.58 34.44 2 0 -3 567.05 34.15 2 0 -3 568.23 34.49 2 0 -2 9999.00 474.72 0 -2 -1 97.21 12.99 2 0 -1 96.71 12.14 0 -2 0 8475.34 402.46 2 0 0 8484.93 403.75 2 0 1 81.92 11.76 0 -2 1 88.37 9.64 2 0 2 9833.56 466.84 2 0 3 558.28 33.96 1 -3 -9 6.82 4.02 3 -2 -9 4.68 3.96 -3 2 -9 -0.34 5.47 -2 -1 -9 3.31 4.80 -1 3 -8 0.57 8.08 3 -2 -8 9.21 7.00 -2 -1 -8 5.82 8.61 2 1 -8 1.29 5.97 -2 -1 -8 3.02 7.42 1 -3 -8 -5.02 7.06 -3 2 -8 -1.97 9.67 -2 -1 -8 5.54 6.36 1 -3 -7 35.96 8.99 1 -3 -7 28.72 8.53 -2 -1 -7 37.70 10.94 2 1 -7 46.26 13.43 2 1 -7 26.72 8.73 -1 3 -7 24.97 10.33 -2 -1 -7 28.14 9.39 -3 2 -7 29.06 10.35 -2 -1 -7 36.58 13.02 -1 3 -7 32.59 11.25 -1 3 -6 292.25 25.91 2 1 -6 313.69 25.99 -3 2 -6 341.05 26.95 -1 3 -6 316.57 25.04 -1 3 -6 297.44 24.49 2 1 -6 329.84 23.25 -2 -1 -6 304.15 23.53 -2 -1 -6 332.46 26.57 2 1 -6 298.95 23.55 3 -2 -6 277.49 23.24 -3 2 -6 301.48 25.53 -3 2 -5 1026.78 55.36 -1 3 -5 1000.22 54.72 -1 3 -5 923.80 54.01 3 -2 -5 912.34 52.50 -3 2 -5 955.29 54.32 2 1 -5 953.38 53.40 -2 -1 -5 973.93 71.94 -1 3 -5 928.02 53.24 2 1 -5 969.13 54.21 -1 3 -5 881.28 51.18 2 1 -5 939.29 52.90 1 -3 -4 86.30 18.70 -2 -1 -4 88.14 19.63 -1 3 -3 472.71 32.11 1 -3 -3 484.62 39.92 2 1 -3 504.08 34.85 2 1 -2 101.78 13.86 2 1 -1 1159.48 66.74 1 -3 -1 1196.77 68.78 2 1 0 1746.44 95.34 1 -3 0 1819.55 96.65 2 1 1 1166.63 66.38 2 1 2 117.52 14.45 2 -3 -9 71.57 8.09 3 -1 -9 70.66 6.81 -3 1 -9 81.47 9.46 -1 -2 -8 191.41 17.25 -1 -2 -8 230.25 19.43 -3 1 -8 253.22 21.40 1 2 -8 210.84 17.87 3 -1 -8 234.14 17.77 -1 -2 -8 233.18 20.26 2 -3 -8 212.29 18.99 -2 3 -8 233.24 20.60 2 -3 -7 256.83 20.10 -1 -2 -7 306.29 26.02 -1 -2 -7 300.34 23.12 -1 -2 -7 327.77 25.97 -2 3 -7 345.06 27.31 1 2 -7 258.56 21.84 1 2 -7 303.60 25.51 -3 1 -7 284.13 23.83 1 2 -7 250.77 21.77 -3 1 -7 324.53 26.16 -2 3 -6 546.80 35.97 1 2 -6 443.59 31.44 1 2 -6 431.52 31.08 -3 1 -6 525.70 33.56 2 -3 -6 508.68 33.17 3 -1 -6 532.12 33.58 3 -1 -6 468.47 31.92 -2 3 -6 400.44 29.25 -3 1 -6 545.24 36.10 1 2 -6 465.98 31.46 -2 3 -6 498.52 33.99 1 2 -6 526.36 35.66 1 2 -5 1382.10 75.62 -1 -2 -5 1558.62 97.88 1 2 -5 1416.00 74.50 3 -1 -5 1408.78 74.55 1 2 -5 1425.73 76.06 3 -1 -5 1366.73 75.26 -2 3 -5 1500.39 76.57 -3 1 -5 1328.99 90.51 -3 1 -5 1581.73 77.56 3 -1 -5 1445.59 75.48 1 2 -5 1329.46 75.27 3 -1 -5 1480.08 75.54 -3 1 -5 1473.10 77.28 1 2 -4 1075.24 64.17 -1 -2 -4 1178.01 77.36 1 2 -3 168.74 16.58 -1 -2 -3 184.56 23.47 3 -1 -3 172.77 17.61 3 -1 -3 153.84 14.41 3 -1 -2 1243.53 70.39 -1 -2 -1 3630.27 183.14 1 2 0 1989.45 106.19 -1 -2 1 3204.17 156.80 -1 -2 2 1150.77 57.13 3 -1 2 1160.19 65.54 3 -1 3 135.72 14.14 -3 3 -9 161.21 12.99 -3 0 -9 187.74 12.94 0 -3 -8 457.77 31.20 3 0 -8 475.72 29.54 -3 0 -8 551.81 35.07 -3 3 -8 536.96 34.76 0 -3 -8 509.93 30.63 0 -3 -8 525.48 32.60 3 0 -7 387.03 27.57 -3 0 -7 435.91 30.05 0 3 -7 410.72 29.64 0 3 -7 434.02 31.39 0 -3 -7 496.67 33.26 0 3 -7 434.62 31.10 -3 3 -6 79.99 14.02 0 3 -6 86.68 14.26 3 -3 -6 99.14 13.31 3 0 -6 105.75 13.68 -3 0 -6 98.24 13.23 -3 0 -6 94.79 15.63 0 3 -6 86.86 14.86 0 3 -6 72.26 12.19 3 0 -6 80.50 14.38 -3 3 -5 1098.63 59.77 -3 0 -5 1075.50 77.99 -3 0 -5 1075.46 57.59 0 3 -5 924.87 54.38 -3 0 -5 1119.04 57.46 3 0 -5 1013.18 56.87 0 3 -5 982.54 57.91 3 -3 -5 1030.77 56.59 0 3 -5 994.43 57.87 -3 3 -5 1042.94 58.18 0 3 -5 979.56 56.28 3 0 -5 976.34 54.94 0 -3 -5 1150.76 79.15 3 0 -5 1002.01 57.01 3 0 -5 1030.66 57.13 3 0 -4 836.25 50.79 0 3 -4 865.07 52.17 -3 3 -4 825.61 48.44 -3 3 -4 800.41 46.85 0 -3 -4 896.16 64.64 3 0 -3 1311.45 67.33 3 0 -3 1150.51 70.53 0 3 -3 1190.64 67.24 0 -3 -3 1265.62 77.55 3 0 -2 1588.00 89.33 0 -3 -2 1700.98 92.86 3 0 -1 1559.67 85.93 0 -3 -1 1563.36 86.53 3 0 0 313.60 26.34 0 -3 0 315.50 25.13 0 -3 1 1512.49 81.18 3 0 1 1629.40 86.44 3 0 2 1734.59 94.50 3 0 3 976.82 56.94 -4 3 -9 190.37 13.78 1 -4 -8 78.38 9.34 4 -3 -8 74.57 9.43 -1 4 -7 480.43 32.85 4 -3 -7 494.68 32.45 3 1 -7 432.68 29.15 -1 4 -7 509.66 35.32 -3 -1 -7 479.96 31.97 3 1 -7 515.56 34.44 1 -4 -7 450.30 31.50 -4 3 -7 569.74 36.49 3 1 -6 255.51 23.19 3 1 -6 275.51 22.46 -3 -1 -6 256.32 20.58 3 1 -6 232.47 18.50 -1 4 -6 224.57 18.77 -1 4 -6 244.11 21.78 3 1 -6 281.22 23.79 -3 -1 -6 275.48 22.77 -4 3 -6 261.85 23.23 4 -3 -6 214.61 20.57 -1 4 -6 215.28 22.88 3 1 -5 255.48 22.33 3 1 -5 243.90 21.86 3 1 -5 232.68 21.11 -1 4 -5 221.80 20.81 -3 -1 -5 226.98 34.29 -1 4 -5 252.11 22.57 -1 4 -5 218.26 18.44 3 1 -5 226.57 16.86 -1 4 -5 204.35 20.05 -4 3 -5 237.57 21.02 4 -3 -5 226.84 19.66 3 1 -4 441.64 27.75 -1 4 -4 376.69 26.30 1 -4 -4 436.84 43.11 3 1 -4 402.13 27.40 3 1 -4 444.67 33.49 -3 -1 -4 433.40 44.97 -1 4 -4 350.98 27.28 -1 4 -4 367.70 27.56 1 -4 -4 371.33 25.88 -1 4 -4 329.61 24.41 -4 3 -4 401.28 27.24 3 1 -3 3012.35 148.16 -1 4 -3 2880.47 147.01 3 1 -3 2825.95 153.01 1 -4 -3 2931.86 159.90 -1 4 -2 344.12 24.29 1 -4 -2 427.64 35.58 3 1 -2 389.46 31.30 1 -4 -1 1285.12 76.51 3 1 -1 1249.49 74.41 3 1 0 385.55 33.67 1 -4 0 475.91 34.85 3 1 1 1320.57 78.16 3 1 2 386.63 31.77 3 1 3 2492.04 131.32 -4 2 -9 0.78 4.05 2 -4 -9 -0.65 2.49 -2 -2 -8 331.76 22.92 4 -2 -8 282.91 19.49 -2 -2 -8 305.90 24.37 -2 -2 -8 281.35 19.31 -2 4 -8 321.48 24.21 2 -4 -8 272.77 20.78 4 -2 -7 -0.55 7.23 -4 2 -7 -6.13 11.05 2 2 -7 0.96 6.51 2 2 -7 7.69 6.95 2 -4 -7 3.70 6.05 -2 -2 -7 -0.71 8.36 -2 -2 -7 -2.63 6.98 -2 4 -7 3.18 10.11 -2 -2 -6 1520.78 113.46 -4 2 -6 1903.36 95.75 4 -2 -6 1808.81 92.88 -2 4 -6 1763.06 92.38 -2 4 -6 1608.53 90.58 2 2 -6 1726.92 93.21 2 2 -6 1868.01 96.45 -4 2 -6 1816.79 94.68 -2 -2 -6 1824.62 91.97 -2 4 -6 1851.62 96.98 2 2 -6 1703.61 90.43 4 -2 -5 52.23 10.66 2 -4 -5 58.12 11.35 -2 -2 -5 73.62 20.34 2 2 -5 50.59 11.90 2 2 -5 57.20 11.73 -2 4 -5 46.46 10.31 4 -2 -5 66.95 10.00 -2 4 -5 60.26 11.56 -2 4 -5 50.17 13.19 -4 2 -5 63.15 12.34 4 -2 -5 53.75 11.14 2 2 -5 53.81 8.31 -4 2 -5 55.89 11.30 -4 2 -5 56.94 11.52 2 2 -5 57.05 12.99 4 -2 -4 1909.93 102.08 -4 2 -4 1861.28 101.85 2 2 -4 2040.35 102.68 2 2 -4 1977.02 109.41 -4 2 -4 2010.46 102.85 -4 2 -4 2023.20 103.30 -2 -2 -4 2225.51 126.86 2 2 -4 2084.41 103.31 2 -4 -4 2079.91 102.28 4 -2 -3 93.84 14.77 -2 -2 -3 95.95 19.79 2 2 -3 84.53 14.04 2 2 -2 2616.46 138.86 2 2 -1 350.89 30.69 2 2 0 6617.20 325.91 2 2 1 333.14 29.44 -2 -2 2 2443.67 123.23 2 2 2 2505.39 131.55 4 -2 3 63.16 10.46 3 -4 -9 5.29 2.67 -4 1 -8 22.50 9.58 -1 -3 -8 28.00 7.98 -1 -3 -8 36.36 9.55 -1 -3 -8 27.07 5.75 4 -1 -8 17.56 5.15 -3 4 -8 25.44 10.14 1 3 -7 20.70 11.89 -1 -3 -7 24.32 9.67 -4 1 -7 32.59 12.25 -1 -3 -7 26.62 7.87 4 -1 -7 21.33 6.63 -1 -3 -6 67.73 21.27 -4 1 -6 53.98 13.79 4 -1 -6 54.16 10.03 1 3 -6 68.66 14.99 4 -1 -6 66.93 12.33 1 3 -6 29.01 10.15 1 3 -6 53.57 11.76 -4 1 -6 69.84 12.08 -3 4 -6 57.88 10.38 1 3 -6 55.16 9.91 -4 1 -6 54.77 11.52 -4 1 -5 563.21 37.74 -4 1 -5 613.73 37.67 -3 4 -5 602.11 39.81 4 -1 -5 582.84 36.62 4 -1 -5 603.16 38.18 -4 1 -5 522.30 54.12 1 3 -5 658.48 38.61 4 -1 -5 581.76 36.97 4 -1 -5 615.71 37.12 1 3 -5 570.92 39.57 3 -4 -5 616.82 37.36 -4 1 -5 616.67 38.39 1 3 -5 542.93 35.15 -1 -3 -5 622.52 58.36 1 3 -5 565.04 38.31 1 3 -4 4.79 8.39 -4 1 -4 3.06 5.62 3 -4 -4 7.44 6.52 -3 4 -4 6.39 7.85 1 3 -4 18.35 12.00 4 -1 -4 0.54 6.97 4 -1 -4 3.45 6.55 1 3 -4 17.98 6.71 1 3 -4 35.01 8.87 -1 -3 -4 19.37 14.24 4 -1 -4 11.19 6.77 4 -1 -3 207.52 17.89 4 -1 -3 211.84 22.57 1 3 -3 211.41 20.80 4 -1 -2 281.43 26.01 -1 -3 -2 269.83 29.37 4 -1 -2 259.41 18.63 -1 -3 -1 438.56 34.82 4 -1 -1 353.68 31.19 -1 -3 0 417.41 32.29 4 -1 0 462.65 34.35 4 -1 1 336.18 29.01 -1 -3 1 362.56 26.21 4 -1 2 246.39 23.90 4 -1 3 131.31 15.27 0 -4 -8 751.61 40.87 -4 0 -8 810.07 42.50 -4 0 -7 3.68 11.19 -4 0 -7 12.38 8.87 -4 4 -7 -2.92 11.15 0 4 -7 7.93 10.61 4 0 -7 8.38 4.62 0 -4 -7 3.56 5.94 -4 0 -6 633.99 40.46 4 0 -6 487.10 32.86 4 0 -6 571.52 37.72 -4 4 -6 596.56 39.36 4 0 -6 623.12 38.45 0 4 -6 569.49 39.72 -4 0 -6 531.86 36.77 -4 0 -6 571.12 37.29 4 0 -6 638.57 38.02 0 4 -6 545.08 39.12 0 4 -5 58.71 13.59 4 0 -5 65.86 12.43 -4 0 -5 41.69 18.86 4 0 -5 61.96 12.67 0 4 -5 68.63 10.45 0 4 -5 69.61 14.51 4 0 -5 69.60 13.01 -4 4 -5 52.52 12.75 -4 0 -5 56.62 10.91 0 -4 -5 67.79 20.38 4 0 -4 1962.32 94.04 0 4 -4 1518.49 84.61 0 4 -4 1823.10 94.64 0 4 -4 1579.42 87.09 4 0 -4 1660.16 87.32 4 0 -4 1710.90 85.61 -4 0 -4 1613.95 85.52 4 -4 -4 1642.53 85.19 0 4 -4 1617.10 84.36 0 4 -4 1570.78 88.37 0 -4 -4 1773.43 109.73 -4 4 -4 1714.14 88.07 4 0 -3 193.42 22.94 4 0 -3 228.92 20.87 0 4 -3 184.15 20.43 0 -4 -2 3897.39 199.22 4 0 -2 3714.25 195.18 0 -4 -1 69.42 15.21 4 0 -1 85.77 15.67 4 0 0 1495.14 86.89 0 -4 0 1496.93 84.88 0 -4 1 70.08 12.42 4 0 1 63.76 13.91 4 0 2 3723.13 191.97 4 0 3 155.00 17.86 -5 4 -8 48.11 9.28 -4 -1 -8 44.77 8.10 1 -5 -8 37.09 5.19 5 -4 -8 41.04 6.11 -5 4 -7 28.12 9.97 -4 -1 -7 30.14 10.71 -4 -1 -7 23.89 8.44 5 -4 -7 24.31 8.65 -1 5 -7 18.52 9.61 4 1 -7 29.14 9.60 -5 4 -6 179.00 18.93 5 -4 -6 180.37 17.73 4 1 -6 203.67 21.28 -1 5 -6 131.89 17.65 -1 5 -6 180.50 21.17 4 1 -6 186.15 18.63 4 1 -6 173.57 18.17 -4 -1 -6 173.35 17.23 -1 5 -5 19.15 8.03 -1 5 -5 23.23 12.46 4 1 -5 32.99 10.81 -4 -1 -5 14.48 14.73 4 1 -5 37.67 13.11 -5 4 -5 23.86 10.95 4 1 -5 28.99 10.42 -4 -1 -5 27.91 8.70 -1 5 -5 17.91 10.74 1 -5 -4 17.05 12.97 -1 5 -4 10.92 9.09 -1 5 -4 14.75 10.65 -5 4 -4 13.09 9.35 -4 -1 -4 23.87 16.40 4 1 -4 5.73 8.99 4 1 -4 2.19 10.25 4 1 -4 14.82 13.09 -1 5 -4 8.66 7.29 -1 5 -3 64.73 13.03 4 1 -3 71.60 14.27 4 1 -3 60.83 12.10 -1 5 -3 67.01 12.95 -5 4 -3 73.85 11.06 4 1 -3 74.69 10.69 -1 5 -3 76.34 11.52 4 1 -3 76.04 16.07 5 -4 -3 61.86 10.42 -1 5 -2 83.52 11.95 1 -5 -2 65.52 17.36 4 1 -2 60.84 13.77 4 1 -1 54.80 14.39 1 -5 -1 50.65 14.83 1 -5 0 1715.36 99.50 4 1 0 1736.27 101.02 4 1 1 62.36 14.81 4 1 2 68.41 15.37 4 1 3 63.31 12.84 -5 3 -8 81.49 10.68 5 -3 -8 57.59 6.97 2 -5 -8 70.02 7.88 5 -3 -7 910.74 52.70 -3 -2 -7 997.12 54.65 -2 5 -7 994.16 58.19 3 2 -7 790.93 51.82 3 2 -7 1016.93 55.30 -5 3 -7 989.24 54.79 3 2 -6 698.08 44.03 -2 5 -6 647.49 40.36 3 2 -6 693.38 42.22 -3 -2 -6 777.22 44.15 -2 5 -6 587.10 39.80 -5 3 -6 659.12 42.23 5 -3 -6 726.45 42.69 -2 5 -6 732.50 46.97 -5 3 -5 611.33 37.79 -2 5 -5 546.41 40.12 5 -3 -5 529.69 32.92 3 2 -5 604.31 37.94 -2 5 -5 536.97 35.69 -2 5 -5 573.74 36.35 -3 -2 -5 542.43 56.28 3 2 -5 607.65 38.89 5 -3 -5 561.95 37.19 -5 3 -4 466.83 31.41 -2 5 -4 423.18 29.50 3 2 -4 445.33 32.01 3 2 -4 478.43 32.87 -3 -2 -4 461.92 48.10 5 -3 -4 443.02 31.69 2 -5 -4 497.10 30.73 5 -3 -3 4825.62 230.84 3 2 -3 4696.66 229.07 -2 5 -3 4786.89 231.99 3 2 -3 4667.17 230.26 3 2 -2 332.22 31.61 3 2 -1 2121.78 119.46 3 2 0 1250.94 79.00 3 2 1 2177.13 122.94 3 2 2 314.54 30.95 -5 2 -8 11.81 7.29 -2 -3 -8 13.55 7.16 -2 -3 -8 11.72 5.67 5 -2 -7 372.17 23.65 5 -2 -7 325.20 24.00 -5 2 -6 153.13 16.74 -2 -3 -6 116.06 26.56 5 -2 -6 128.65 15.34 2 3 -6 135.09 16.30 -3 5 -6 129.27 14.78 -5 2 -5 224.22 20.13 2 3 -5 231.59 21.44 3 -5 -5 228.53 19.68 -3 5 -5 200.69 22.34 5 -2 -5 215.39 18.55 5 -2 -5 214.40 18.40 -2 -3 -5 228.90 36.13 5 -2 -5 198.62 20.07 -5 2 -5 223.07 20.49 2 3 -4 148.96 17.87 -5 2 -4 135.98 14.83 5 -2 -4 144.51 14.32 2 3 -4 190.64 25.86 -2 -3 -4 131.20 25.88 3 -5 -4 153.24 14.89 -5 2 -4 139.15 15.35 -3 5 -4 147.09 17.70 2 3 -4 164.40 16.71 -3 5 -3 2281.07 113.44 2 3 -3 2219.47 118.61 2 3 -3 2186.44 111.29 3 -5 -3 2154.70 108.88 5 -2 -3 2198.03 110.57 5 -2 -3 2022.18 121.39 -2 -3 -2 54.13 18.39 5 -2 -2 50.46 13.51 -2 -3 -1 782.86 56.02 -2 -3 0 317.98 28.56 -2 -3 1 632.08 42.33 5 -2 2 31.05 10.94 5 -2 3 1446.70 82.32 -5 1 -8 536.17 31.20 -1 -4 -8 512.22 30.74 -1 -4 -8 510.26 30.22 -4 5 -7 802.74 49.61 -5 1 -7 840.63 48.08 1 4 -7 827.98 50.12 -1 -4 -7 738.93 46.80 -4 5 -6 26.26 12.09 -5 1 -6 34.25 9.85 4 -5 -6 33.96 9.79 5 -1 -6 18.20 6.76 1 4 -6 20.63 9.97 5 -1 -6 29.84 9.71 1 4 -6 44.69 14.66 -5 1 -6 38.10 11.09 5 -1 -6 32.97 9.83 5 -1 -6 22.75 5.75 -4 5 -6 38.40 9.91 5 -1 -5 1216.06 73.62 -5 1 -5 1344.26 74.70 1 4 -5 1475.25 75.09 -5 1 -5 1442.91 75.22 5 -1 -5 1393.43 74.66 5 -1 -5 1302.31 72.55 -5 1 -5 1094.18 95.60 5 -1 -5 1513.75 76.65 -4 5 -5 1403.08 78.22 4 -5 -5 1486.67 74.71 -1 -4 -5 1501.69 103.67 1 4 -4 669.95 49.56 1 4 -4 665.10 44.05 4 -5 -4 656.54 38.39 5 -1 -4 665.80 40.51 5 -1 -4 639.77 40.12 -5 1 -4 622.67 38.73 -1 -4 -4 733.31 60.69 1 4 -4 654.34 39.12 -4 5 -4 657.49 42.74 5 -1 -4 583.32 37.06 1 4 -3 2045.70 112.59 5 -1 -3 1987.42 104.94 5 -1 -3 2248.48 108.64 5 -1 -3 2124.84 105.67 -5 1 -3 2107.14 104.58 4 -5 -3 2092.84 104.09 5 -1 -3 2001.12 105.84 1 4 -3 2057.44 107.93 -4 5 -3 2094.16 108.42 5 -1 -3 1981.64 117.75 5 -1 -2 1933.56 98.92 5 -1 -2 1910.18 111.85 -1 -4 -2 1989.30 115.75 -1 -4 -1 3208.42 170.02 5 -1 -1 3182.71 170.00 -1 -4 0 15.24 8.97 5 -1 0 25.36 11.46 5 -1 1 2993.78 161.44 -1 -4 1 3073.04 157.78 5 -1 2 1744.46 100.86 5 -1 3 1465.33 83.99 0 -5 -8 32.76 5.38 -5 0 -8 44.22 6.81 5 -5 -8 32.49 5.59 -5 5 -8 34.52 7.97 -5 5 -7 663.27 40.93 -5 0 -7 649.84 39.86 0 5 -7 638.62 39.84 -5 5 -6 640.41 40.48 -5 0 -6 627.50 39.34 -5 0 -6 621.93 38.04 5 0 -6 685.29 40.53 5 0 -6 608.05 37.04 0 5 -6 645.13 41.65 5 0 -6 637.39 39.07 -5 5 -5 1727.74 90.59 5 -5 -5 1694.64 86.66 0 -5 -5 1621.81 114.62 5 0 -5 1679.64 89.21 5 0 -5 1695.87 86.33 -5 0 -5 1605.79 86.10 0 5 -4 358.39 26.24 0 5 -4 414.76 35.75 -5 0 -4 365.35 25.91 0 5 -4 357.89 24.51 5 -5 -4 407.72 26.86 5 0 -4 434.78 30.94 5 0 -4 391.54 28.20 -5 5 -4 419.49 30.80 5 0 -4 414.63 32.55 5 0 -4 380.17 26.44 0 -5 -4 398.14 44.09 0 5 -4 338.93 30.12 -5 5 -3 1510.82 77.56 5 0 -3 1415.88 77.33 5 0 -3 1507.07 79.26 -5 0 -3 1340.88 72.77 5 0 -3 1344.59 87.38 5 0 -3 1420.27 73.27 5 0 -3 1483.28 75.03 5 -5 -3 1313.74 72.30 5 0 -3 1337.86 73.32 0 5 -3 1405.29 77.89 0 -5 -3 1552.56 97.15 0 5 -3 1478.37 81.93 5 0 -2 145.80 15.23 5 0 -2 156.28 14.19 0 -5 -2 149.94 24.92 0 5 -2 178.00 14.69 5 0 -2 182.95 23.74 0 -5 -1 2598.01 142.31 5 0 -1 2498.31 141.27 5 0 0 1399.03 85.63 0 -5 0 1375.00 83.59 5 0 1 2534.97 140.31 5 0 2 183.99 23.70 5 0 3 1065.18 66.54 -5 -1 -8 6.15 3.18 -5 -1 -7 387.55 24.81 -6 5 -7 329.75 24.29 6 -5 -7 367.56 23.32 -6 5 -6 353.46 26.75 -5 -1 -6 399.46 27.39 -5 -1 -6 354.80 25.16 5 1 -6 384.33 28.42 5 1 -6 364.95 26.42 5 1 -6 319.69 24.49 -1 6 -6 343.73 26.33 -6 5 -5 1248.68 68.55 -5 -1 -5 1167.82 64.82 6 -5 -5 1336.84 66.98 5 1 -5 1352.84 70.34 -1 6 -5 1138.52 67.68 -1 6 -5 1129.81 65.07 5 1 -5 1209.24 65.59 -6 5 -4 143.71 17.54 5 1 -4 195.83 22.59 -1 6 -4 141.14 17.83 -5 -1 -4 157.22 28.26 5 1 -4 222.49 21.53 5 1 -4 168.69 18.14 -1 6 -4 149.13 15.78 -5 -1 -4 128.47 13.74 -6 5 -3 655.03 42.18 5 1 -3 793.63 48.47 -1 6 -3 712.98 47.56 1 -6 -3 762.10 63.09 -5 -1 -3 682.24 40.48 -1 6 -3 675.61 43.79 5 1 -3 723.42 45.21 5 1 -3 717.57 41.65 -1 6 -3 696.86 42.03 5 1 -3 732.01 42.74 5 1 -3 673.61 55.68 6 -5 -3 735.70 42.23 1 -6 -2 101.97 21.01 5 1 -2 61.93 11.31 5 1 -2 87.19 10.18 5 1 -2 64.57 8.37 6 -5 -2 87.18 11.22 -1 6 -2 74.41 13.14 -1 6 -2 72.58 10.45 5 1 -2 90.99 18.50 5 1 -1 1759.96 102.54 6 -5 -1 1643.63 83.64 -1 6 -1 1585.09 83.01 5 1 0 328.89 34.64 5 1 1 1717.28 104.78 5 1 2 103.02 18.77 5 1 3 588.27 45.38 -4 -2 -8 243.45 15.98 -6 4 -8 248.49 16.91 -6 4 -7 38.04 8.96 6 -4 -7 41.61 8.08 -4 -2 -7 41.35 9.53 4 2 -7 40.80 8.36 4 2 -7 39.66 9.66 -4 -2 -7 40.41 8.19 -6 4 -6 95.75 13.01 -2 6 -6 80.71 11.35 4 2 -6 66.02 11.53 4 2 -6 102.35 14.00 -2 6 -6 47.82 9.74 -4 -2 -6 78.15 11.67 6 -4 -6 76.44 12.31 -6 4 -5 38.84 11.23 -4 -2 -5 46.29 9.49 -4 -2 -5 22.40 15.36 -2 6 -5 46.55 9.99 6 -4 -5 52.29 10.95 4 2 -5 38.54 11.09 -2 6 -5 30.46 10.03 4 2 -5 46.81 11.06 -6 4 -4 596.22 38.65 4 2 -4 658.36 49.25 4 2 -4 635.91 38.90 -2 6 -4 549.74 37.39 -4 -2 -4 584.92 57.07 6 -4 -4 611.28 38.77 -2 6 -4 600.43 37.46 4 2 -3 532.42 39.58 4 2 -3 468.29 33.72 -2 6 -3 467.64 31.23 4 2 -3 502.92 31.86 -2 6 -3 477.02 31.60 6 -4 -3 520.22 33.31 4 2 -2 1144.75 60.58 -2 6 -2 1185.39 61.78 4 2 -2 1146.79 76.93 6 -4 -2 1131.48 62.03 4 2 -2 1109.07 62.37 4 2 -1 -1.52 9.44 4 2 -1 5.93 5.36 -2 6 -1 8.24 5.19 4 2 0 819.55 60.65 4 2 1 3.23 11.16 4 2 2 1378.75 88.84 -6 3 -8 34.50 6.25 3 -6 -8 28.98 4.56 -3 -3 -8 29.54 5.30 -6 3 -7 120.92 12.98 -3 -3 -7 130.75 12.55 6 -3 -7 90.62 10.67 3 3 -7 131.36 15.19 -3 -3 -6 23.35 8.74 -6 3 -6 11.81 8.03 6 -3 -6 15.63 8.62 3 3 -6 27.05 10.57 3 3 -6 6.18 8.79 3 3 -6 18.84 12.00 -3 6 -6 22.28 8.31 3 3 -5 355.81 27.53 -6 3 -5 346.67 25.69 6 -3 -5 309.37 26.05 3 3 -5 347.28 26.45 -3 -3 -5 287.56 38.94 -3 6 -5 312.45 29.64 3 -6 -5 371.56 25.80 -3 6 -5 354.10 26.42 6 -3 -5 323.82 22.57 -3 -3 -4 28.26 15.74 -3 6 -4 15.23 12.30 6 -3 -4 5.94 5.99 -6 3 -4 6.47 8.17 3 -6 -4 3.16 7.14 3 3 -4 -2.92 17.95 3 3 -4 18.51 10.88 3 3 -4 0.66 9.35 6 -3 -4 9.52 10.45 3 3 -3 203.30 25.71 3 3 -3 226.64 19.49 3 -6 -3 200.06 16.82 6 -3 -3 210.77 26.48 -3 -3 -3 247.24 34.28 6 -3 -3 224.96 21.03 3 3 -3 190.06 19.09 -3 6 -3 225.28 24.11 3 3 -2 88.16 12.13 3 3 -2 91.24 11.35 6 -3 -2 104.86 12.67 6 -3 -2 82.49 18.32 -3 -3 -2 102.48 23.74 -3 -3 -1 637.67 52.34 -3 -3 0 335.27 32.74 -3 -3 1 523.97 39.68 6 -3 2 74.76 15.94 6 -3 3 142.60 18.67 -6 2 -8 209.16 13.61 4 -6 -8 185.67 12.53 -2 -4 -8 167.05 12.80 -2 -4 -7 3.47 5.83 -4 6 -7 10.57 9.31 -6 2 -7 11.10 6.83 -6 2 -6 204.19 17.92 6 -2 -6 162.82 15.86 2 4 -6 162.10 18.01 -4 6 -6 193.55 17.50 -4 6 -6 197.21 21.82 6 -2 -5 131.37 14.59 -6 2 -5 148.26 15.40 6 -2 -5 134.75 16.66 -2 -4 -5 110.09 25.08 -4 6 -5 171.01 18.02 2 4 -5 189.35 17.29 4 -6 -5 121.31 14.61 -4 6 -5 151.94 20.21 -6 2 -4 533.94 34.93 2 4 -4 675.05 51.22 4 -6 -4 546.48 34.39 -4 6 -4 601.98 41.40 6 -2 -4 539.09 34.60 2 4 -4 550.37 35.62 6 -2 -4 584.09 36.81 6 -2 -4 524.41 36.50 -2 -4 -4 526.20 53.20 -2 -4 -3 30.33 15.32 2 4 -3 33.53 15.62 4 -6 -3 20.94 7.25 6 -2 -3 24.68 7.41 6 -2 -3 29.58 9.51 -4 6 -3 30.16 12.53 2 4 -3 16.58 10.47 2 4 -3 14.64 7.68 6 -2 -3 12.40 10.25 6 -2 -3 40.20 10.62 2 4 -2 1026.84 58.12 6 -2 -2 1085.76 58.32 4 -6 -2 1098.03 57.17 6 -2 -2 1150.09 59.49 6 -2 -2 1153.73 75.24 6 -2 -2 1025.50 59.25 -4 6 -2 1090.65 62.79 6 -2 -1 161.36 23.62 -2 -4 -1 170.57 23.94 6 -2 0 668.38 49.76 -2 -4 0 533.12 42.82 6 -2 1 155.70 22.02 -2 -4 1 130.71 18.63 6 -2 2 1084.16 71.37 6 -2 3 11.71 6.76 -6 1 -8 64.71 6.34 -1 -5 -8 66.11 6.06 -6 1 -7 11.21 6.17 -5 6 -7 9.47 8.30 1 5 -7 10.14 8.49 -5 6 -6 1.42 9.98 -6 1 -6 11.14 7.68 5 -6 -6 8.41 7.33 6 -1 -6 1.46 7.57 1 5 -6 4.30 8.26 1 5 -6 -0.79 12.09 -5 6 -6 0.59 7.77 -6 1 -5 19.66 8.24 -1 -5 -5 9.31 13.88 5 -6 -5 25.91 8.61 6 -1 -5 18.90 6.70 -5 6 -5 18.65 12.35 6 -1 -5 18.58 8.73 6 -1 -5 15.83 7.19 -6 1 -5 6.90 12.81 -6 1 -5 23.68 8.19 -6 1 -4 121.81 14.03 5 -6 -4 135.20 13.79 -6 1 -4 126.42 13.91 1 5 -4 114.37 12.81 1 5 -4 138.08 23.40 -5 6 -4 144.59 19.92 1 5 -4 133.01 19.06 6 -1 -4 113.87 14.86 6 -1 -4 135.56 15.34 6 -1 -3 54.75 15.22 -5 6 -3 48.92 13.96 -1 -5 -3 61.62 20.28 6 -1 -3 62.81 11.30 1 5 -3 59.32 16.30 5 -6 -3 57.24 9.39 6 -1 -3 51.03 11.36 1 5 -3 69.21 13.96 1 5 -3 60.01 8.70 6 -1 -3 55.51 10.82 6 -1 -3 61.55 10.24 -6 1 -3 61.95 9.53 6 -1 -2 524.41 32.95 6 -1 -2 436.34 30.94 6 -1 -2 518.11 31.06 6 -1 -2 456.74 29.90 -1 -5 -2 536.68 48.09 6 -1 -2 543.42 46.17 -5 6 -2 471.02 33.02 -1 -5 -1 3.03 9.96 6 -1 -1 2.77 5.44 6 -1 -1 4.34 5.53 6 -1 -1 3.49 5.17 6 -1 -1 3.19 9.89 -1 -5 0 7.67 9.67 6 -1 0 9.18 11.25 6 -1 1 4.48 9.81 6 -1 2 489.28 41.85 6 -1 3 44.73 11.56 0 -6 -7 9.24 4.82 -6 6 -7 3.48 5.80 -6 0 -7 5.44 5.08 0 6 -7 1.28 5.41 6 -6 -6 703.44 39.31 -6 0 -6 639.90 39.25 6 0 -6 725.54 40.42 6 0 -6 630.66 37.50 0 6 -6 663.39 41.83 -6 6 -6 665.01 41.61 -6 6 -5 10.55 10.34 -6 0 -5 0.53 7.01 6 -6 -5 2.07 7.30 6 0 -5 13.88 10.25 6 0 -5 15.76 10.09 6 0 -5 5.34 7.05 -6 0 -5 -3.15 6.21 -6 6 -4 268.64 24.98 6 0 -4 255.27 25.00 -6 0 -4 225.92 35.44 6 0 -4 254.16 22.03 6 0 -4 267.52 23.85 0 6 -4 275.85 29.09 6 0 -4 233.65 19.28 -6 0 -4 264.25 20.39 0 6 -4 277.59 25.59 6 -6 -4 285.43 21.06 -6 6 -3 5.78 8.60 0 -6 -3 -2.22 12.94 6 0 -3 8.99 8.81 0 6 -3 5.22 11.52 0 6 -3 3.61 9.94 6 0 -3 5.16 10.89 6 0 -3 6.95 8.03 6 -6 -3 -0.42 5.78 6 0 -3 9.80 5.99 6 0 -3 -1.61 9.44 6 0 -2 105.28 12.65 0 -6 -2 92.73 21.06 0 6 -2 71.71 14.64 6 0 -2 94.34 19.24 6 0 -2 99.67 11.77 6 0 -2 75.37 12.49 6 -6 -2 93.75 10.48 6 0 -2 80.83 9.90 6 0 -1 -1.70 13.01 6 0 -1 5.60 5.69 6 0 -1 5.39 5.65 0 -6 -1 1.63 11.10 6 -6 -1 8.31 4.78 6 0 -1 1.42 4.48 0 -6 0 2535.38 143.72 6 0 0 2577.08 145.63 6 0 1 20.90 12.02 6 0 2 86.50 17.93 6 0 3 3.60 6.84 1 -7 -7 5.18 3.31 -6 -1 -7 11.89 3.97 -7 6 -6 49.55 9.63 -6 -1 -6 53.64 8.76 7 -6 -6 63.10 9.01 6 1 -6 82.74 10.61 6 1 -6 63.76 9.80 6 1 -6 48.90 7.93 -6 -1 -5 24.12 7.21 -7 6 -5 24.13 9.69 -6 -1 -5 22.22 7.44 7 -6 -5 36.92 8.96 6 1 -5 21.69 9.92 6 1 -5 30.22 10.27 6 1 -5 25.12 7.48 -1 7 -5 29.48 9.24 6 1 -4 308.57 27.00 7 -6 -4 297.33 21.44 -1 7 -4 228.65 22.69 6 1 -4 276.92 23.41 6 1 -4 292.11 23.14 -6 -1 -4 246.78 35.78 6 1 -4 242.76 19.97 -6 -1 -4 249.47 19.52 -7 6 -4 259.41 22.87 6 1 -3 99.25 13.86 6 1 -3 123.87 17.12 6 1 -3 93.88 11.71 -1 7 -3 117.45 15.46 6 1 -3 139.83 14.52 7 -6 -3 103.31 12.14 6 1 -2 549.32 34.17 -1 7 -2 460.55 33.24 6 1 -2 489.04 48.14 6 1 -2 531.81 32.43 7 -6 -2 534.62 32.46 6 1 -2 507.61 35.93 6 1 -1 5.09 6.95 7 -6 -1 18.80 6.58 6 1 -1 3.89 5.74 6 1 -1 7.42 10.31 6 1 0 244.67 18.99 6 1 0 308.13 34.62 6 1 1 8.86 9.85 6 1 2 486.82 45.34 -5 -2 -7 530.82 30.04 -7 5 -7 525.21 29.98 -7 5 -6 141.94 14.42 -5 -2 -6 156.98 14.17 -5 -2 -6 136.98 14.40 7 -5 -6 159.81 14.34 5 2 -6 181.84 15.65 5 2 -6 137.16 14.04 -7 5 -5 935.00 52.33 -2 7 -5 996.59 52.28 -2 7 -5 782.85 49.91 5 2 -5 898.11 51.18 -5 -2 -5 907.06 50.48 -7 5 -4 476.78 31.72 5 2 -4 534.26 40.64 -5 -2 -4 425.71 29.41 5 2 -4 533.33 33.59 -5 -2 -4 360.74 45.55 5 2 -3 1892.70 100.96 7 -5 -3 1667.14 112.00 5 2 -3 1851.86 93.19 -2 7 -3 1648.91 93.67 -2 7 -3 1850.31 94.63 -5 -2 -3 1714.77 117.40 7 -5 -3 1902.26 94.49 5 2 -2 909.16 50.85 5 2 -2 838.64 48.30 -2 7 -2 819.88 49.70 -5 -2 -2 829.44 69.66 7 -5 -2 881.69 49.75 5 2 -2 932.95 69.18 -2 7 -2 936.52 50.71 5 2 -1 1433.28 77.38 5 2 -1 1425.05 76.11 7 -5 -1 1608.93 78.69 -2 7 -1 1520.71 78.06 5 2 0 8.23 6.41 5 2 0 21.75 12.94 -2 7 0 7.81 4.72 5 2 1 1839.23 114.99 5 2 2 1008.83 74.55 7 -5 3 1436.84 90.87 -4 -3 -7 40.99 6.43 -7 4 -7 36.44 6.61 -4 -3 -7 42.66 7.38 7 -4 -7 30.80 5.55 4 3 -7 40.52 7.71 -4 -3 -6 17.58 6.68 -7 4 -6 12.82 6.97 7 -4 -6 8.08 7.14 4 3 -6 12.95 7.90 4 3 -6 15.11 7.68 4 3 -6 4.09 8.82 -3 7 -6 11.03 7.12 -7 4 -5 347.14 24.89 7 -4 -5 317.46 24.92 4 3 -5 320.75 25.78 4 3 -5 349.30 26.40 4 3 -5 326.49 25.89 -3 7 -5 359.22 25.72 -4 -3 -4 25.99 15.51 4 3 -4 25.91 9.87 4 3 -4 26.87 10.20 7 -4 -4 32.54 10.77 -4 -3 -3 19.86 15.01 4 3 -3 13.35 8.71 7 -4 -3 1.73 10.31 4 3 -3 5.55 8.01 7 -4 -3 -0.63 8.54 -3 7 -3 7.41 8.19 -4 -3 -2 39.80 17.75 7 -4 -2 37.39 14.63 4 3 -2 38.02 9.66 4 3 -2 61.38 10.25 -3 7 -2 36.01 9.78 7 -4 -2 35.25 9.18 4 3 -1 288.15 20.83 7 -4 -1 287.08 21.84 -3 7 -1 298.30 21.14 4 3 0 206.88 16.47 -4 -3 0 240.02 28.86 -4 -3 1 272.50 28.66 7 -4 2 40.57 14.09 7 -4 3 12.64 8.47 -7 3 -7 570.77 32.12 -3 -4 -7 554.07 32.97 3 4 -7 639.33 34.53 -3 -4 -7 573.52 32.18 -7 3 -6 461.43 29.56 7 -3 -6 424.25 28.98 -4 7 -6 526.98 31.43 -3 -4 -6 518.72 30.77 3 4 -6 447.22 30.99 3 4 -6 560.96 34.31 -7 3 -5 2174.76 111.17 7 -3 -5 2180.99 112.73 7 -3 -5 2033.16 108.91 3 4 -5 2267.35 112.53 3 4 -5 2264.54 113.48 -4 7 -5 2496.14 114.91 3 4 -4 386.57 38.74 4 -7 -4 369.06 25.21 3 4 -4 403.39 30.10 7 -3 -4 341.71 24.18 3 4 -4 382.80 27.10 -4 7 -4 395.48 28.79 3 4 -3 747.93 52.53 4 -7 -3 754.09 41.74 3 4 -3 724.97 44.74 -4 7 -3 790.70 45.83 7 -3 -3 689.32 41.35 -3 -4 -3 669.92 62.15 7 -3 -3 719.08 57.99 3 4 -2 172.10 16.65 7 -3 -2 192.96 15.49 3 4 -2 168.77 16.28 7 -3 -2 175.55 25.91 -3 -4 -2 205.88 30.69 3 4 -1 2664.85 133.98 7 -3 -1 2626.00 132.40 -3 -4 -1 2933.00 156.28 3 4 0 740.55 41.87 7 -3 0 739.36 41.77 -3 -4 0 825.00 57.35 7 -3 1 2935.67 164.35 7 -3 2 152.32 23.02 7 -3 3 467.15 38.19 -7 2 -7 223.12 14.86 -2 -5 -7 223.23 15.05 2 5 -7 241.90 17.37 -7 2 -6 13.38 5.92 2 5 -6 14.58 7.61 -5 7 -6 8.79 7.04 -7 2 -5 385.25 26.06 5 -7 -5 429.57 27.11 7 -2 -5 339.03 25.80 7 -2 -5 407.64 26.08 -5 7 -5 484.72 31.43 5 -7 -4 69.89 10.36 2 5 -4 77.18 20.81 2 5 -4 81.55 10.36 7 -2 -4 74.29 10.86 2 5 -3 737.75 49.18 5 -7 -3 652.89 36.64 7 -2 -3 674.04 39.52 2 5 -3 560.74 36.35 7 -2 -3 609.32 38.76 -2 -5 -3 625.26 58.20 7 -2 -3 623.49 52.54 7 -2 -2 174.56 15.92 -2 -5 -2 173.87 28.13 5 -7 -2 174.73 14.59 2 5 -2 203.10 17.54 7 -2 -2 205.15 17.47 7 -2 -2 188.42 16.72 7 -2 -2 238.75 29.46 7 -2 -1 802.56 45.64 7 -2 -1 858.25 46.21 7 -2 -1 952.93 67.40 -2 -5 -1 782.86 61.60 7 -2 -1 833.70 46.48 -2 -5 0 80.16 16.71 7 -2 0 90.02 10.44 7 -2 0 97.27 20.80 7 -2 1 1008.96 71.97 7 -2 2 197.46 25.53 7 -2 3 434.99 36.19 -1 -6 -7 360.19 20.69 1 6 -7 319.26 20.92 -1 -6 -7 380.07 20.67 -7 1 -6 306.29 21.54 6 -7 -6 391.58 23.15 1 6 -6 378.94 25.95 -6 7 -6 365.63 24.64 -7 1 -5 424.72 28.20 6 -7 -5 506.70 29.69 7 -1 -5 474.29 29.73 1 6 -4 296.34 31.66 6 -7 -4 348.71 23.42 1 6 -4 343.98 27.74 7 -1 -4 332.98 24.66 7 -1 -4 322.64 24.25 -1 -6 -4 287.08 38.73 7 -1 -3 1642.80 84.65 1 6 -3 1668.15 94.42 7 -1 -3 1470.10 86.13 7 -1 -3 1324.33 99.52 6 -7 -3 1640.20 82.95 1 6 -3 1879.81 88.57 7 -1 -3 1594.37 84.14 7 -1 -3 1609.89 83.22 -1 -6 -3 1638.13 110.23 7 -1 -2 147.67 16.00 7 -1 -2 164.34 15.88 7 -1 -2 129.12 24.08 -1 -6 -2 153.65 26.70 6 -7 -2 158.00 13.43 1 6 -2 159.21 16.31 7 -1 -2 145.91 14.41 7 -1 -2 131.44 13.76 1 6 -2 179.75 21.15 7 -1 -1 785.56 44.53 7 -1 -1 851.75 64.70 7 -1 -1 815.58 44.22 7 -1 -1 752.85 43.58 -1 -6 -1 739.13 59.04 7 -1 -1 792.34 46.05 7 -1 0 832.05 47.54 -1 -6 0 993.50 65.96 7 -1 0 963.20 69.30 7 -1 1 817.65 63.17 7 -1 2 173.61 24.40 7 -1 3 935.06 62.53 7 -7 -6 273.89 16.89 -7 0 -6 222.26 15.40 0 7 -6 216.88 16.96 -7 7 -6 269.75 18.74 -7 0 -5 185.70 15.61 7 -7 -5 230.93 17.09 7 0 -5 221.38 17.56 7 0 -5 249.94 18.92 0 7 -5 232.83 20.07 7 -7 -4 234.77 18.36 0 7 -4 236.95 21.85 7 0 -4 231.87 19.97 7 0 -4 259.83 20.44 7 0 -3 1271.31 68.24 7 0 -3 1178.15 71.24 0 7 -3 1169.74 73.66 7 -7 -3 1363.35 67.48 0 7 -3 1320.44 70.93 7 0 -3 1323.66 68.14 7 0 -3 1092.96 83.98 7 0 -2 106.58 14.14 0 7 -2 122.52 16.23 7 0 -2 115.63 13.57 7 0 -2 101.34 21.07 0 7 -2 124.37 14.90 7 0 -2 117.55 12.42 7 -7 -2 111.21 10.77 7 0 -2 89.35 10.56 7 0 -1 562.26 33.83 7 0 -1 636.27 53.61 7 0 -1 554.58 33.02 7 -7 -1 537.64 31.75 7 0 -1 530.04 31.90 7 0 0 496.91 30.11 7 -7 0 469.01 28.28 7 0 0 450.73 28.17 7 0 1 575.97 50.27 7 0 2 76.68 18.25 8 -7 -6 3.25 3.42 -8 7 -6 0.52 4.17 8 -7 -5 184.18 13.78 7 1 -5 155.97 13.68 7 1 -5 172.79 14.75 8 -7 -4 88.77 10.32 7 1 -4 90.01 11.59 7 1 -4 84.78 11.15 7 1 -3 472.14 35.85 8 -7 -3 563.58 32.32 -1 8 -3 496.60 33.49 7 1 -3 542.20 33.12 7 1 -2 145.41 16.68 7 1 -2 165.84 16.15 -1 8 -2 146.11 15.96 7 1 -2 157.00 14.61 8 -7 -2 148.77 13.54 7 1 -1 392.79 25.84 7 1 -1 333.31 23.80 7 1 -1 385.77 41.19 8 -7 -1 347.48 23.05 7 1 0 7.07 6.48 7 1 0 -1.90 9.16 8 -7 0 9.46 5.51 7 1 1 363.35 24.92 7 1 1 389.02 41.00 -6 -2 -6 7.89 4.68 6 2 -6 -0.83 3.66 -6 -2 -5 234.38 17.95 8 -6 -5 287.47 18.85 6 2 -5 289.08 20.27 6 2 -5 233.99 17.35 -6 -2 -5 210.48 16.28 8 -6 -4 21.00 8.26 6 2 -4 28.47 11.49 6 2 -4 22.44 9.21 6 2 -4 20.97 6.99 6 2 -3 4.22 9.20 6 2 -3 7.46 6.26 -2 8 -3 -3.49 7.20 6 2 -3 5.58 7.79 8 -6 -3 6.19 6.62 6 2 -2 130.54 16.27 6 2 -2 102.28 11.89 -2 8 -2 127.95 13.76 6 2 -2 130.23 13.55 8 -6 -2 100.41 12.46 -6 -2 -2 104.69 24.36 6 2 -1 222.61 18.91 6 2 -1 207.00 17.05 -6 -2 -1 250.40 35.74 6 2 -1 255.79 19.11 8 -6 -1 259.98 19.05 6 2 0 3.99 5.93 6 2 0 9.87 11.23 -6 -2 0 8.85 12.29 8 -6 0 5.51 6.46 -5 -3 -6 12.87 4.64 -5 -3 -6 9.36 5.58 8 -5 -6 7.50 4.54 5 3 -6 10.64 6.03 5 3 -6 13.02 5.47 -5 -3 -5 8.92 5.85 5 3 -5 15.96 7.14 5 3 -5 25.20 7.99 -5 -3 -4 16.64 5.66 5 3 -4 30.17 12.83 5 3 -4 15.62 8.36 5 3 -4 21.49 9.36 -3 8 -4 23.82 8.74 5 3 -3 865.61 54.67 5 3 -3 801.81 47.41 8 -5 -3 743.62 61.58 8 -5 -3 886.33 48.21 -3 8 -3 888.40 49.54 -5 -3 -2 96.73 22.66 5 3 -2 101.77 12.74 8 -5 -2 118.28 22.08 5 3 -2 85.17 11.32 8 -5 -2 98.24 12.31 -3 8 -2 114.37 13.25 -5 -3 -1 107.58 23.79 5 3 -1 113.53 12.50 5 3 -1 90.03 11.18 -3 8 -1 108.01 11.92 8 -5 -1 108.57 12.50 8 -5 -1 99.83 22.15 -5 -3 0 9.46 11.52 5 3 0 6.41 5.92 8 -5 0 8.15 12.14 8 -5 1 98.71 21.86 8 -5 2 107.13 21.47 -4 -4 -7 62.25 6.01 -4 -4 -6 49.93 7.12 8 -4 -6 37.55 6.33 4 4 -6 42.91 7.75 4 4 -6 56.14 8.44 8 -4 -5 217.47 18.11 4 4 -5 247.80 18.72 4 4 -5 235.57 19.89 4 4 -5 272.34 20.52 -4 -4 -5 254.59 19.05 4 4 -4 44.13 14.97 4 4 -4 12.32 9.25 4 4 -4 14.38 7.69 -4 8 -4 25.35 9.79 -4 -4 -3 147.25 26.06 4 4 -3 115.12 19.33 4 4 -3 122.43 14.86 4 4 -3 133.76 14.54 8 -4 -3 96.56 20.10 8 -4 -3 145.35 14.72 -4 8 -3 147.09 15.90 -4 -4 -2 8.38 11.63 4 4 -2 -0.51 6.95 8 -4 -2 12.93 9.74 4 4 -2 9.01 7.60 8 -4 -2 5.21 7.41 -4 8 -2 5.52 7.10 4 4 -1 341.12 23.90 8 -4 -1 351.01 38.74 -4 -4 -1 332.31 38.55 8 -4 -1 354.80 24.50 -4 8 -1 327.61 23.60 4 4 0 260.17 19.19 -4 -4 0 229.40 29.37 4 4 1 284.66 20.50 8 -4 1 379.12 38.32 8 -4 2 15.31 9.24 -3 -5 -7 -2.14 2.64 3 5 -6 37.76 7.48 3 5 -6 61.54 9.39 -5 8 -6 64.85 8.61 -3 -5 -6 59.51 7.30 8 -3 -5 108.78 11.73 3 5 -5 145.40 14.51 3 5 -5 150.50 15.86 5 -8 -4 148.88 12.24 3 5 -4 133.84 16.22 3 5 -4 105.81 19.80 3 5 -4 121.47 12.33 8 -3 -4 98.82 11.00 -5 8 -4 128.56 15.90 -3 -5 -3 48.09 16.80 3 5 -3 41.86 13.73 3 5 -3 32.34 9.98 3 5 -3 34.52 7.96 8 -3 -3 24.51 6.73 8 -3 -3 23.00 8.75 8 -3 -3 33.59 12.42 -5 8 -3 31.20 9.88 8 -3 -2 305.70 21.50 3 5 -2 358.73 24.63 8 -3 -2 303.99 23.17 -3 -5 -2 281.51 36.88 8 -3 -2 310.87 35.97 -5 8 -2 347.02 24.63 3 5 -1 128.62 12.79 -3 -5 -1 121.78 22.44 8 -3 -1 131.31 12.66 8 -3 -1 155.38 25.26 8 -3 -1 151.14 14.18 -5 8 -1 158.54 14.68 3 5 0 71.22 9.28 8 -3 0 95.27 9.79 8 -3 0 117.75 22.95 3 5 1 97.80 9.78 8 -3 1 127.62 23.11 3 5 2 211.48 15.76 8 -3 2 290.79 31.79 -2 -6 -6 10.68 4.17 -6 8 -6 9.22 5.05 2 6 -6 11.92 5.86 8 -2 -5 2.34 4.70 2 6 -5 2.50 7.58 6 -8 -4 29.56 6.37 2 6 -4 25.26 12.79 8 -2 -4 16.88 6.86 -6 8 -4 39.96 10.67 2 6 -3 293.56 28.58 6 -8 -3 265.39 18.47 8 -2 -3 259.99 19.68 8 -2 -2 70.73 9.88 -2 -6 -2 40.26 15.05 2 6 -2 62.86 13.76 8 -2 -2 54.84 9.58 8 -2 -2 66.40 17.06 -2 -6 -1 49.10 14.58 8 -2 -1 41.32 8.38 8 -2 -1 67.06 18.10 8 -2 -1 48.67 8.64 8 -2 0 23.90 6.64 8 -2 0 37.05 14.56 8 -2 0 10.62 6.40 8 -2 1 38.19 14.74 8 -2 2 54.44 14.80 1 7 -6 339.90 21.45 -7 8 -6 413.44 22.44 7 -8 -5 5.18 4.52 8 -1 -5 2.55 4.67 1 7 -5 -3.74 6.38 7 -8 -4 414.46 24.44 1 7 -4 374.16 27.61 8 -1 -4 374.86 24.91 7 -8 -3 12.92 5.56 1 7 -3 8.95 9.95 1 7 -3 3.97 8.14 8 -1 -3 3.50 6.05 8 -1 -3 7.18 5.02 1 7 -2 317.88 28.94 8 -1 -2 394.44 24.85 7 -8 -2 358.40 22.58 1 7 -2 393.60 26.30 8 -1 -2 356.04 24.07 8 -1 -2 329.58 23.52 8 -1 -1 -0.45 5.79 8 -1 -1 1.89 9.37 8 -1 -1 4.78 5.54 8 -1 0 1170.05 82.32 8 -1 0 1172.79 60.25 8 -1 0 1105.64 59.59 8 -1 1 1.25 5.65 8 -1 1 1.77 8.80 0 -8 -6 2.62 1.81 8 -8 -5 41.86 5.63 8 0 -5 28.62 5.65 8 -8 -4 0.30 4.61 8 0 -4 1.99 5.18 8 -8 -3 80.19 9.29 0 8 -3 100.97 12.21 8 0 -3 78.41 10.28 8 0 -2 15.26 7.03 8 -8 -2 5.14 5.28 0 8 -2 4.04 7.81 8 0 -2 9.09 6.22 8 0 -2 7.41 3.75 8 0 -1 14.62 6.12 8 0 -1 23.65 7.23 0 8 -1 20.92 7.79 8 0 -1 15.43 4.32 8 0 0 11.19 6.21 8 0 0 8.16 3.91 8 0 1 12.78 5.95 8 0 1 7.57 3.93 8 0 2 3.49 3.52 8 0 6 -0.11 1.79 9 -8 -5 31.68 3.99 8 1 -5 33.20 4.57 9 -8 -4 478.47 26.89 8 1 -4 517.64 28.12 9 -8 -3 69.78 7.96 8 1 -3 68.14 8.73 8 1 -3 75.83 9.17 8 1 -2 1118.86 49.84 8 1 -2 673.33 49.49 9 -8 -2 1003.82 47.71 -1 9 -2 814.84 48.19 8 1 -2 879.85 47.67 8 1 -1 57.84 9.26 8 1 -1 35.92 8.34 -1 9 -1 50.68 8.51 9 -8 -1 39.62 6.14 8 1 0 458.32 25.67 9 -8 0 340.57 22.17 8 1 1 37.64 7.23 9 -8 1 34.98 5.48 8 1 2 865.31 40.21 9 -8 2 650.49 37.31 8 1 3 55.12 6.91 9 -8 3 41.86 4.87 9 -7 -5 601.88 33.00 7 2 -5 659.78 34.41 9 -7 -4 259.64 17.55 7 2 -4 269.86 19.30 9 -7 -3 305.73 19.83 7 2 -3 313.28 21.25 7 2 -2 223.74 21.45 7 2 -2 251.60 18.87 9 -7 -2 267.32 18.11 -2 9 -1 660.58 39.97 9 -7 -1 793.62 40.51 9 -7 0 279.69 18.94 7 2 1 740.60 39.53 9 -7 1 681.38 38.35 7 2 2 195.18 15.11 9 -6 -6 155.12 9.83 -6 -3 -5 13.07 4.71 6 3 -5 12.97 4.94 6 3 -5 16.19 5.88 6 3 -5 10.75 4.38 6 3 -4 140.72 17.73 9 -6 -4 228.36 15.78 6 3 -4 185.83 14.90 6 3 -4 202.61 16.35 6 3 -4 149.88 13.87 6 3 -3 31.03 10.26 6 3 -3 34.93 7.60 6 3 -3 40.99 9.48 6 3 -3 32.60 8.37 9 -6 -3 38.85 7.66 6 3 -2 136.47 17.06 6 3 -2 124.28 13.66 6 3 -2 119.96 12.64 6 3 -2 135.96 14.28 9 -6 -2 168.34 14.25 6 3 -1 27.54 7.80 6 3 -1 23.71 6.40 6 3 -1 18.23 7.01 9 -6 -1 15.97 6.81 6 3 0 812.98 42.87 9 -6 0 809.58 42.60 6 3 1 13.16 5.68 6 3 2 106.93 10.67 -5 -4 -6 137.50 10.37 9 -5 -6 146.75 9.65 5 4 -6 146.32 10.53 9 -5 -5 454.17 25.27 5 4 -5 441.57 25.14 5 4 -5 408.30 25.90 5 4 -4 314.44 22.03 5 4 -4 368.68 24.72 -4 9 -4 364.36 24.50 5 4 -3 1595.18 85.67 5 4 -3 1613.51 85.46 5 4 -3 1769.57 87.76 9 -5 -3 1741.58 86.00 -4 9 -3 1701.81 87.21 5 4 -2 233.45 18.70 5 4 -2 260.52 19.48 9 -5 -2 280.80 20.09 -4 9 -2 257.42 19.90 5 4 -1 1232.80 62.61 5 4 -1 1203.61 61.58 9 -5 -1 1205.57 62.09 -4 9 -1 1020.97 61.15 5 4 0 573.50 34.33 9 -5 0 526.93 51.22 9 -5 0 596.77 34.90 5 4 1 960.67 51.07 5 4 2 187.24 14.49 -4 -5 -6 8.84 3.45 4 5 -6 8.55 3.38 4 5 -6 7.59 3.85 -4 -5 -5 18.84 4.33 9 -4 -5 10.89 4.34 4 5 -5 18.41 6.35 -5 9 -5 19.73 6.47 -4 -5 -4 40.69 6.37 4 5 -4 54.36 7.59 4 5 -4 58.02 10.03 4 5 -4 52.96 12.80 4 5 -4 60.19 9.86 -5 9 -4 67.12 10.39 4 5 -3 304.59 28.46 4 5 -3 379.50 25.08 4 5 -3 326.65 22.38 -5 9 -3 363.57 24.80 4 5 -2 137.68 17.89 4 5 -2 158.08 15.38 -5 9 -2 132.81 13.95 4 5 -1 49.70 8.15 4 5 -1 65.34 10.02 -5 9 -1 48.13 8.99 4 5 0 17.98 6.28 9 -4 0 15.11 11.99 4 5 1 37.52 6.69 4 5 2 95.60 9.21 4 5 3 215.11 14.20 3 6 -5 635.98 36.02 -3 -6 -5 585.03 33.81 3 6 -4 337.23 23.17 -6 9 -4 341.94 23.41 3 6 -3 637.93 43.76 3 6 -3 731.09 39.64 9 -3 -3 642.02 36.00 -6 9 -3 695.94 38.81 3 6 -2 551.14 38.77 3 6 -2 602.46 35.37 9 -3 -2 528.26 32.70 -6 9 -2 539.01 33.99 9 -3 -1 972.77 53.46 3 6 -1 1096.40 56.01 9 -3 -1 1067.72 54.90 -6 9 -1 952.07 55.08 9 -3 0 88.52 10.03 9 -3 0 122.10 11.88 9 -3 1 842.42 44.77 9 -3 2 410.51 24.46 2 7 -5 313.00 20.25 -7 9 -5 351.18 19.89 2 7 -4 7.54 6.47 9 -2 -4 7.46 4.18 2 7 -3 29.01 9.95 9 -2 -3 12.87 5.52 -7 9 -3 29.76 7.97 9 -2 -2 5.17 4.92 2 7 -2 5.97 8.60 9 -2 -2 8.73 5.76 -7 9 -2 6.84 6.68 9 -2 -1 421.63 26.37 9 -2 -1 449.46 26.63 -7 9 -1 411.28 27.75 9 -2 0 83.76 9.74 9 -2 0 85.22 9.66 9 -2 1 383.46 24.33 9 -2 1 408.41 24.62 9 -2 2 7.84 4.73 1 8 -5 155.77 12.11 -8 9 -5 244.10 13.15 9 -1 -4 144.12 10.31 -8 9 -4 112.98 11.08 1 8 -3 113.87 12.16 9 -1 -3 109.38 10.15 -8 9 -3 103.89 11.60 9 -1 -2 137.73 11.68 1 8 -2 148.98 13.98 -8 9 -2 152.80 14.07 9 -1 -1 491.91 27.20 1 8 -1 537.53 29.11 9 -1 -1 415.77 24.82 -8 9 -1 428.15 27.22 9 -1 0 187.97 14.81 9 -1 0 160.03 12.55 9 -1 1 459.40 25.39 9 -1 1 364.12 22.83 9 -1 2 121.45 10.50 9 -1 2 89.33 8.34 9 -1 3 99.62 9.28 9 -1 4 131.09 10.05 9 -1 5 224.17 13.36 9 0 -4 74.73 6.83 -9 9 -4 88.66 7.54 9 0 -3 166.78 11.43 -9 9 -3 141.56 11.69 0 9 -2 219.28 16.43 -9 9 -2 228.61 16.45 9 0 -1 227.63 16.37 0 9 -1 212.23 16.43 9 0 0 14.34 5.60 0 9 0 6.98 5.26 9 0 1 216.71 15.34 9 0 2 219.45 14.89 9 0 3 149.82 10.75 9 0 4 78.50 6.62 9 1 -3 100.79 7.66 -10 9 -3 76.03 6.80 9 1 -2 25.06 4.51 -10 9 -2 5.91 3.29 9 1 -1 64.35 6.91 9 1 0 80.73 8.07 9 1 1 66.38 7.06 9 1 2 17.78 3.99 9 1 3 118.48 8.44 10 -8 -4 20.72 3.02 -10 8 -4 27.43 4.22 10 -8 -3 57.17 5.78 10 -8 -2 77.79 7.31 8 2 -1 29.01 7.12 10 -8 -1 33.00 5.02 8 2 0 0.39 4.56 10 -8 0 1.19 3.01 10 -8 1 31.31 4.70 8 2 2 77.30 7.28 10 -8 2 54.62 5.55 8 2 3 46.49 5.36 10 -8 3 38.19 3.73 8 2 4 22.91 3.20 10 -7 -4 7.42 3.49 7 3 -4 5.39 3.44 7 3 -4 4.70 3.89 10 -7 -3 1.91 3.74 7 3 -3 -4.75 5.95 7 3 -3 0.29 4.42 7 3 -3 5.19 4.21 7 3 -2 25.17 8.35 7 3 -2 31.17 6.30 10 -7 -2 41.58 6.16 7 3 -1 95.62 12.52 7 3 -1 124.42 11.35 10 -7 -1 97.77 9.63 7 3 0 12.09 5.31 10 -7 0 12.10 4.96 7 3 1 108.84 10.05 10 -7 1 96.39 8.73 7 3 2 32.60 5.70 10 -7 2 31.42 4.97 7 3 3 2.49 3.17 10 -7 3 3.06 2.88 7 3 4 5.41 2.50 10 -7 4 3.19 2.14 6 4 -5 66.31 6.34 10 -6 -4 19.07 4.51 6 4 -4 9.24 3.98 6 4 -4 16.97 5.10 6 4 -4 10.34 4.06 6 4 -3 250.11 23.99 6 4 -3 295.83 19.29 6 4 -2 3.79 7.05 6 4 -2 0.61 4.93 6 4 -2 -1.48 5.58 10 -6 -2 5.58 5.13 6 4 -1 157.39 13.01 6 4 -1 147.15 12.54 6 4 -1 135.99 12.88 10 -6 -1 179.94 13.66 6 4 -1 146.69 16.43 6 4 0 89.24 9.90 6 4 0 81.15 9.03 10 -6 0 101.57 10.03 6 4 1 151.76 12.24 6 4 1 129.51 11.10 10 -6 1 167.39 12.53 6 4 2 5.94 3.74 6 4 2 1.19 3.25 10 -6 2 -1.39 4.19 6 4 3 223.48 14.28 10 -6 5 39.76 3.82 10 -5 -5 6.08 2.34 5 5 -5 11.21 3.30 10 -5 -4 62.03 6.86 5 5 -4 63.70 8.20 5 5 -4 67.64 7.98 5 5 -3 31.62 8.97 5 5 -3 25.27 6.68 5 5 -3 25.14 6.84 10 -5 -3 26.52 5.97 5 5 -2 21.42 8.53 5 5 -2 26.29 7.11 5 5 -2 26.06 5.86 10 -5 -2 31.45 6.73 5 5 -1 23.52 6.63 10 -5 -1 22.77 6.74 5 5 0 518.35 29.62 10 -5 0 581.75 30.70 5 5 1 23.78 5.03 10 -5 1 27.57 6.56 4 6 -5 148.75 10.68 4 6 -5 138.02 10.49 10 -4 -4 9.65 3.60 4 6 -4 16.17 5.49 4 6 -4 10.53 5.27 -6 10 -4 12.07 4.52 4 6 -3 78.62 9.82 4 6 -3 56.24 11.29 -6 10 -3 61.90 8.23 4 6 -2 5.25 7.02 4 6 -2 8.54 6.47 10 -4 -2 3.19 4.93 -6 10 -2 -5.88 5.50 4 6 -1 280.38 24.60 4 6 -1 331.53 22.31 10 -4 -1 328.26 21.28 4 6 0 85.50 9.74 10 -4 0 90.78 10.08 10 -4 1 300.21 20.11 10 -4 2 4.21 4.97 10 -4 5 178.86 10.97 -7 10 -4 221.76 14.47 3 7 -3 68.94 9.09 3 7 -3 48.18 10.18 -7 10 -3 66.85 8.05 10 -3 -2 394.53 22.80 -7 10 -2 351.62 23.30 3 7 -1 2.34 7.00 3 7 -1 1.52 6.15 10 -3 -1 0.60 4.33 3 7 0 468.32 25.85 10 -3 0 450.32 24.79 10 -3 1 0.88 3.15 10 -3 1 -0.29 4.16 10 -3 2 300.71 18.84 10 -3 2 394.71 20.87 10 -3 3 42.65 4.97 10 -3 3 58.56 6.51 10 -3 4 225.38 13.39 2 8 -4 27.75 4.72 2 8 -4 21.68 4.43 -8 10 -4 18.18 3.48 2 8 -3 60.89 7.58 10 -2 -3 36.14 4.51 -8 10 -3 49.23 6.19 2 8 -2 96.91 10.34 10 -2 -2 89.93 7.79 -8 10 -2 70.50 8.03 10 -2 -1 25.15 4.86 10 -2 -1 22.38 4.32 2 8 0 8.83 4.95 10 -2 0 13.05 4.57 10 -2 0 8.20 3.63 10 -2 1 29.22 5.38 10 -2 1 17.50 4.21 10 -2 2 80.37 7.50 10 -2 2 70.61 6.70 10 -2 3 42.09 4.85 1 9 -3 13.73 3.35 1 9 -2 722.02 38.20 10 -1 -2 730.72 37.05 1 9 -1 2.07 4.34 10 -1 0 509.86 28.98 1 9 0 555.38 29.94 10 -1 1 4.33 3.69 1 9 1 4.28 3.91 10 -1 2 773.98 39.48 10 -1 3 12.87 2.80 10 0 -1 8.32 2.69 10 0 0 75.05 6.57 10 0 1 8.15 2.80 10 0 2 7.42 2.30 9 2 1 56.70 4.97 8 3 -2 258.72 14.83 8 3 -1 1.60 2.78 8 3 0 194.40 10.89 11 -8 0 129.37 9.15 8 3 1 1.24 2.62 11 -8 1 2.17 1.60 8 3 2 257.83 14.69 11 -7 -3 190.61 11.23 11 -7 -2 170.66 10.55 7 4 -2 154.01 10.56 7 4 -1 338.06 18.47 11 -7 -1 297.23 18.09 7 4 0 2.94 3.05 11 -7 0 9.08 2.98 7 4 1 322.34 18.04 11 -7 1 311.11 17.66 11 -7 2 165.06 10.12 11 -7 3 146.52 8.81 11 -6 -3 1.11 2.43 6 5 -3 0.27 2.33 6 5 -2 112.57 9.23 11 -6 -2 163.35 10.25 6 5 -1 13.05 3.59 11 -6 -1 15.74 4.28 6 5 0 16.59 4.18 11 -6 0 39.06 5.41 6 5 1 11.43 3.13 11 -6 1 16.03 3.83 11 -6 2 151.90 10.25 11 -6 3 3.41 2.18 11 -5 -3 201.41 11.48 5 6 -3 166.22 11.64 5 6 -3 168.14 11.66 5 6 -2 47.64 6.25 5 6 -2 42.35 5.64 5 6 -1 427.27 27.83 5 6 -1 350.34 22.40 5 6 0 169.92 15.64 5 6 0 196.54 13.23 5 6 1 438.40 24.42 5 6 2 44.04 5.06 11 -4 -3 3.65 2.00 4 7 -3 7.47 2.88 4 7 -3 4.94 3.05 4 7 -2 3.38 3.71 4 7 -2 5.32 3.38 4 7 -1 7.36 4.12 4 7 -1 8.56 3.50 11 -4 -1 14.63 3.84 4 7 0 92.37 8.71 11 -4 0 99.76 8.43 4 7 1 14.38 4.18 11 -4 1 9.11 3.82 4 7 2 1.79 2.94 11 -4 2 0.80 2.67 11 -4 3 5.78 2.24 3 8 -2 33.95 4.55 3 8 -1 135.60 10.55 3 8 0 63.10 6.72 11 -3 0 44.66 4.82 3 8 1 130.04 10.04 3 8 2 35.67 4.51 2 9 -1 8.69 2.92 2 9 0 26.97 4.07 0 0 0 0.00 0.00 TITL BASMOM in P6(3) REM P6(3) (#173 in standard setting) CELL 1.54184 9.365330 9.365330 7.615396 90.0000 90.0000 120.0000 ZERR 2.00 0.000409 0.000409 0.000316 0.0000 0.0000 0.0000 LATT -1 SYMM -y, x-y, z SYMM -x+y,-x, z SYMM -x,-y, z+1/2 SYMM y,-x+y, z+1/2 SYMM x-y, x, z+1/2 SFAC H O Mg Fe Ni Te UNIT 16.00 26.00 1.00 2.00 2.00 6.00 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 11049