data_adanite _audit_creation_method 'SHELXL-2016/6' _shelx_SHELXL_version_number '2016/6' _chemical_name_mineral 'adanite' _chemical_compound_source 'Northstar mine, Utah' _chemical_formula_sum 'O7 Pb2 S Te' _chemical_formula_weight 686.04 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Pb' 'Pb' -3.3944 10.1111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'S' 'S' 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Te' 'Te' -0.5308 1.6751 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_H-M_alt 'P 21/n' _space_group_name_Hall '-P 2yn' _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' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 7.3830(3) _cell_length_b 10.7545(5) _cell_length_c 9.3517(7) _cell_angle_alpha 90 _cell_angle_beta 111.500(8) _cell_angle_gamma 90 _cell_volume 690.86(7) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 16417 _cell_measurement_theta_min 3.0 _cell_measurement_theta_max 30.0 _exptl_crystal_density_diffrn 6.596 _exptl_crystal_F_000 1152 _exptl_crystal_description 'wedge' _exptl_crystal_size_max 0.130 _exptl_crystal_size_mid 0.090 _exptl_crystal_size_min 0.040 _exptl_absorpt_coefficient_mu 53.105 _shelx_estimated_absorpt_T_min 0.055 _shelx_estimated_absorpt_T_max 0.225 _diffrn_measurement_device_type 'Rigaku R-axis RAPID II' _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_max 1.000 _exptl_absorpt_correction_T_min 0.328 _exptl_absorpt_process_details Higashi2001 _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71075 _diffrn_radiation_type MoK\a _diffrn_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_reflns_number 19381 _diffrn_reflns_av_unetI/netI 0.0296 _diffrn_reflns_av_R_equivalents 0.0586 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_l_min -13 _diffrn_reflns_limit_l_max 13 _diffrn_reflns_theta_min 3.012 _diffrn_reflns_theta_max 29.972 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 1.000 _diffrn_measured_fraction_theta_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 1.000 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 1.000 _diffrn_reflns_point_group_measured_fraction_full 1.000 _reflns_number_total 2011 _reflns_number_gt 1906 _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_structure_refinement 'SHELXL-2016/6 (Sheldrick, 2016)' _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^)+(0.0112P)^2^+3.6821P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_hydrogens . _refine_ls_hydrogen_treatment undef _refine_ls_extinction_method 'SHELXL-2016/6 (Sheldrick 2016)' _refine_ls_extinction_coef 0.00116(10) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 2011 _refine_ls_number_parameters 101 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0241 _refine_ls_R_factor_gt 0.0221 _refine_ls_wR_factor_ref 0.0467 _refine_ls_wR_factor_gt 0.0460 _refine_ls_goodness_of_fit_ref 1.188 _refine_ls_restrained_S_all 1.188 _refine_ls_shift/su_max 0.001 _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 Pb1 Pb 0.13927(3) 0.65731(2) 0.50286(2) 0.01526(7) Uani 1 1 d . . . . . Pb2 Pb 0.28067(3) 0.03966(2) 0.56839(2) 0.01526(7) Uani 1 1 d . . . . . Te Te 0.39611(5) 0.36216(3) 0.69092(4) 0.00994(8) Uani 1 1 d . . . . . S S 0.2752(2) 0.38111(14) 0.29373(15) 0.0143(3) Uani 1 1 d . . . . . O1 O 0.4873(7) 0.3896(5) 0.3502(6) 0.0337(12) Uani 1 1 d . . . . . O2 O 0.1955(8) 0.3322(5) 0.1360(5) 0.0283(10) Uani 1 1 d . . . . . O3 O 0.2137(7) 0.2993(5) 0.3942(5) 0.0272(10) Uani 1 1 d . . . . . O4 O 0.1934(7) 0.5077(5) 0.2920(5) 0.0262(10) Uani 1 1 d . . . . . O5 O 0.2644(6) 0.2162(4) 0.7089(4) 0.0155(8) Uani 1 1 d . . . . . O6 O 0.1709(6) 0.4630(4) 0.6372(5) 0.0149(8) Uani 1 1 d . . . . . O7 O 0.4616(6) 0.4059(4) 0.9007(4) 0.0162(8) Uani 1 1 d . . . . . 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 Pb1 0.01816(12) 0.00963(11) 0.01757(11) 0.00169(7) 0.00606(9) -0.00152(7) Pb2 0.01471(12) 0.01140(12) 0.01948(11) -0.00373(7) 0.00604(8) -0.00151(7) Te 0.01105(17) 0.00544(16) 0.01332(15) -0.00104(11) 0.00443(13) -0.00027(12) S 0.0141(6) 0.0135(7) 0.0165(6) 0.0003(5) 0.0070(5) -0.0021(5) O1 0.016(2) 0.034(3) 0.051(3) 0.006(2) 0.013(2) 0.001(2) O2 0.041(3) 0.023(3) 0.019(2) -0.0047(17) 0.009(2) -0.001(2) O3 0.029(2) 0.029(3) 0.023(2) 0.0049(19) 0.0080(19) -0.011(2) O4 0.029(2) 0.021(2) 0.031(2) -0.0052(19) 0.013(2) 0.001(2) O5 0.025(2) 0.0068(19) 0.0154(17) -0.0011(14) 0.0087(16) -0.0049(16) O6 0.0134(19) 0.0064(19) 0.025(2) 0.0011(15) 0.0072(16) 0.0007(14) O7 0.0156(19) 0.014(2) 0.0153(18) -0.0052(15) 0.0017(15) 0.0020(16) _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 Pb1 O6 2.405(4) . ? Pb1 O6 2.536(4) 3_566 ? Pb1 O5 2.602(4) 2_556 ? Pb1 O1 2.640(5) 3_666 ? Pb1 O4 2.686(4) . ? Pb1 O2 2.806(5) 2 ? Pb1 O7 3.001(4) 2_556 ? Pb1 O3 3.126(5) 3_566 ? Pb1 O5 3.213(4) 3_566 ? Pb1 Te 3.6974(4) 2_556 ? Pb1 Te 3.7015(5) 3_566 ? Pb1 Te 3.7842(4) . ? Pb1 S 3.8850(14) . ? Pb1 S 3.8946(14) 2 ? Pb1 Pb1 3.9497(4) 3_566 ? Pb2 O5 2.337(4) . ? Pb2 O7 2.376(4) 4_565 ? Pb2 O7 2.394(4) 2_546 ? Pb2 O6 2.769(4) 2_546 ? Pb2 O2 2.984(5) 2_545 ? Pb2 O4 3.041(5) 4_666 ? Pb2 O3 3.178(5) . ? Pb2 O2 3.203(5) 4_666 ? Pb2 O4 3.462(5) 2_545 ? Pb2 Te 3.5450(4) 2_546 ? Pb2 S 3.5857(15) 4_666 ? Pb2 Te 3.6541(4) . ? Pb2 S 3.6772(14) 2_545 ? Pb2 Te 3.7802(5) 4_565 ? Pb2 O3 3.920(5) 4_666 ? Te O5 1.886(4) . ? Te O6 1.892(4) . ? Te O7 1.899(4) . ? Te O3 2.689(5) . ? Te O1 2.873(6) 3_666 ? Te O3 2.976(5) 4_666 ? Te O2 3.218(5) 4_666 ? Te O4 3.289(5) 3_666 ? Te S 3.4935(14) . ? Te O1 3.502(5) . ? Te S 3.6438(15) 3_666 ? Te S 3.6919(15) 4_666 ? S O1 1.460(5) . ? S O2 1.471(5) . ? S O3 1.475(5) . ? S O4 1.487(5) . ? 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 O6 Pb1 O6 73.91(15) . 3_566 ? O6 Pb1 O5 74.52(13) . 2_556 ? O6 Pb1 O5 120.76(13) 3_566 2_556 ? O6 Pb1 O1 71.28(15) . 3_666 ? O6 Pb1 O1 138.10(15) 3_566 3_666 ? O5 Pb1 O1 70.75(15) 2_556 3_666 ? O6 Pb1 O4 81.42(14) . . ? O6 Pb1 O4 70.39(14) 3_566 . ? O5 Pb1 O4 148.08(13) 2_556 . ? O1 Pb1 O4 81.93(16) 3_666 . ? O6 Pb1 O2 148.08(14) . 2 ? O6 Pb1 O2 124.49(13) 3_566 2 ? O5 Pb1 O2 108.42(13) 2_556 2 ? O1 Pb1 O2 79.68(15) 3_666 2 ? O4 Pb1 O2 81.67(14) . 2 ? O6 Pb1 O7 127.17(12) . 2_556 ? O6 Pb1 O7 109.45(12) 3_566 2_556 ? O5 Pb1 O7 58.36(11) 2_556 2_556 ? O1 Pb1 O7 109.92(15) 3_666 2_556 ? O4 Pb1 O7 150.97(13) . 2_556 ? O2 Pb1 O7 74.91(13) 2 2_556 ? O6 Pb1 O3 84.33(13) . 3_566 ? O6 Pb1 O3 62.52(13) 3_566 3_566 ? O5 Pb1 O3 65.59(12) 2_556 3_566 ? O1 Pb1 O3 134.24(14) 3_666 3_566 ? O4 Pb1 O3 132.89(14) . 3_566 ? O2 Pb1 O3 126.51(14) 2 3_566 ? O7 Pb1 O3 56.48(12) 2_556 3_566 ? O6 Pb1 O5 125.46(12) . 3_566 ? O6 Pb1 O5 55.94(11) 3_566 3_566 ? O5 Pb1 O5 112.03(11) 2_556 3_566 ? O1 Pb1 O5 163.25(14) 3_666 3_566 ? O4 Pb1 O5 98.92(12) . 3_566 ? O2 Pb1 O5 83.88(13) 2 3_566 ? O7 Pb1 O5 62.09(10) 2_556 3_566 ? O3 Pb1 O5 55.74(11) 3_566 3_566 ? O6 Pb1 Te 97.71(10) . 2_556 ? O6 Pb1 Te 113.40(9) 3_566 2_556 ? O5 Pb1 Te 28.66(9) 2_556 2_556 ? O1 Pb1 Te 93.87(12) 3_666 2_556 ? O4 Pb1 Te 175.78(10) . 2_556 ? O2 Pb1 Te 97.17(10) 2 2_556 ? O7 Pb1 Te 30.76(7) 2_556 2_556 ? O3 Pb1 Te 50.88(9) 3_566 2_556 ? O5 Pb1 Te 84.96(7) 3_566 2_556 ? O6 Pb1 Te 95.06(10) . 3_566 ? O6 Pb1 Te 28.16(9) 3_566 3_566 ? O5 Pb1 Te 111.01(9) 2_556 3_566 ? O1 Pb1 Te 165.53(12) 3_666 3_566 ? O4 Pb1 Te 91.50(10) . 3_566 ? O2 Pb1 Te 112.25(10) 2 3_566 ? O7 Pb1 Te 81.92(8) 2_556 3_566 ? O3 Pb1 Te 45.43(8) 3_566 3_566 ? O5 Pb1 Te 30.63(7) 3_566 3_566 ? Te Pb1 Te 92.694(11) 2_556 3_566 ? O6 Pb1 Te 24.81(9) . . ? O6 Pb1 Te 90.92(9) 3_566 . ? O5 Pb1 Te 79.78(8) 2_556 . ? O1 Pb1 Te 49.29(12) 3_666 . ? O4 Pb1 Te 69.80(10) . . ? O2 Pb1 Te 123.28(11) 2 . ? O7 Pb1 Te 138.14(7) 2_556 . ? O3 Pb1 Te 108.33(9) 3_566 . ? O5 Pb1 Te 146.62(7) 3_566 . ? Te Pb1 Te 107.786(8) 2_556 . ? Te Pb1 Te 116.320(9) 3_566 . ? O6 Pb1 S 66.74(10) . . ? O6 Pb1 S 72.60(9) 3_566 . ? O5 Pb1 S 133.22(9) 2_556 . ? O1 Pb1 S 72.70(13) 3_666 . ? O4 Pb1 S 15.65(11) . . ? O2 Pb1 S 92.49(10) 2 . ? O7 Pb1 S 166.09(8) 2_556 . ? O3 Pb1 S 131.87(9) 3_566 . ? O5 Pb1 S 111.46(7) 3_566 . ? Te Pb1 S 161.82(2) 2_556 . ? Te Pb1 S 97.86(2) 3_566 . ? Te Pb1 S 54.18(2) . . ? O6 Pb1 S 154.01(10) . 2 ? O6 Pb1 S 107.38(9) 3_566 2 ? O5 Pb1 S 122.23(9) 2_556 2 ? O1 Pb1 S 94.47(12) 3_666 2 ? O4 Pb1 S 74.98(11) . 2 ? O2 Pb1 S 17.20(10) 2 2 ? O7 Pb1 S 77.67(8) 2_556 2 ? O3 Pb1 S 119.86(9) 3_566 2 ? O5 Pb1 S 69.84(7) 3_566 2 ? Te Pb1 S 105.03(2) 2_556 2 ? Te Pb1 S 96.26(2) 3_566 2 ? Te Pb1 S 131.68(2) . 2 ? S Pb1 S 88.555(8) . 2 ? O6 Pb1 Pb1 38.10(10) . 3_566 ? O6 Pb1 Pb1 35.82(9) 3_566 3_566 ? O5 Pb1 Pb1 99.55(9) 2_556 3_566 ? O1 Pb1 Pb1 106.41(12) 3_666 3_566 ? O4 Pb1 Pb1 72.16(11) . 3_566 ? O2 Pb1 Pb1 151.71(10) 2 3_566 ? O7 Pb1 Pb1 125.58(8) 2_556 3_566 ? O3 Pb1 Pb1 69.12(9) 3_566 3_566 ? O5 Pb1 Pb1 89.63(7) 3_566 3_566 ? Te Pb1 Pb1 109.676(10) 2_556 3_566 ? Te Pb1 Pb1 59.178(8) 3_566 3_566 ? Te Pb1 Pb1 57.142(8) . 3_566 ? S Pb1 Pb1 64.37(2) . 3_566 ? S Pb1 Pb1 137.67(2) 2 3_566 ? O5 Pb2 O7 85.86(14) . 4_565 ? O5 Pb2 O7 103.05(14) . 2_546 ? O7 Pb2 O7 67.92(16) 4_565 2_546 ? O5 Pb2 O6 72.39(12) . 2_546 ? O7 Pb2 O6 117.73(13) 4_565 2_546 ? O7 Pb2 O6 62.02(12) 2_546 2_546 ? O5 Pb2 O2 174.04(13) . 2_545 ? O7 Pb2 O2 92.21(14) 4_565 2_545 ? O7 Pb2 O2 81.37(14) 2_546 2_545 ? O6 Pb2 O2 113.43(12) 2_546 2_545 ? O5 Pb2 O4 89.69(14) . 4_666 ? O7 Pb2 O4 175.23(14) 4_565 4_666 ? O7 Pb2 O4 114.89(13) 2_546 4_666 ? O6 Pb2 O4 62.26(12) 2_546 4_666 ? O2 Pb2 O4 92.05(13) 2_545 4_666 ? O5 Pb2 O3 62.88(13) . . ? O7 Pb2 O3 60.97(13) 4_565 . ? O7 Pb2 O3 127.38(13) 2_546 . ? O6 Pb2 O3 135.27(12) 2_546 . ? O2 Pb2 O3 111.29(12) 2_545 . ? O4 Pb2 O3 115.35(12) 4_666 . ? O5 Pb2 O2 77.42(13) . 4_666 ? O7 Pb2 O2 132.01(13) 4_565 4_666 ? O7 Pb2 O2 159.60(12) 2_546 4_666 ? O6 Pb2 O2 99.57(11) 2_546 4_666 ? O2 Pb2 O2 99.87(12) 2_545 4_666 ? O4 Pb2 O2 44.90(12) 4_666 4_666 ? O3 Pb2 O2 71.41(12) . 4_666 ? O5 Pb2 O4 131.34(12) . 2_545 ? O7 Pb2 O4 77.12(12) 4_565 2_545 ? O7 Pb2 O4 111.60(12) 2_546 2_545 ? O6 Pb2 O4 154.86(11) 2_546 2_545 ? O2 Pb2 O4 42.70(12) 2_545 2_545 ? O4 Pb2 O4 104.70(10) 4_666 2_545 ? O3 Pb2 O4 69.03(12) . 2_545 ? O2 Pb2 O4 81.07(11) 4_666 2_545 ? O5 Pb2 Te 88.50(9) . 2_546 ? O7 Pb2 Te 92.59(9) 4_565 2_546 ? O7 Pb2 Te 30.06(9) 2_546 2_546 ? O6 Pb2 Te 31.98(8) 2_546 2_546 ? O2 Pb2 Te 97.23(9) 2_545 2_546 ? O4 Pb2 Te 89.00(9) 4_666 2_546 ? O3 Pb2 Te 140.72(9) . 2_546 ? O2 Pb2 Te 130.87(8) 4_666 2_546 ? O4 Pb2 Te 136.82(8) 2_545 2_546 ? O5 Pb2 S 74.20(10) . 4_666 ? O7 Pb2 S 151.53(10) 4_565 4_666 ? O7 Pb2 S 135.78(9) 2_546 4_666 ? O6 Pb2 S 75.74(9) 2_546 4_666 ? O2 Pb2 S 105.53(10) 2_545 4_666 ? O4 Pb2 S 24.19(9) 4_666 4_666 ? O3 Pb2 S 91.50(9) . 4_666 ? O2 Pb2 S 24.19(8) 4_666 4_666 ? O4 Pb2 S 100.84(8) 2_545 4_666 ? Te Pb2 S 106.70(2) 2_546 4_666 ? O5 Pb2 Te 26.71(10) . . ? O7 Pb2 Te 91.94(10) 4_565 . ? O7 Pb2 Te 129.15(10) 2_546 . ? O6 Pb2 Te 92.33(8) 2_546 . ? O2 Pb2 Te 148.06(10) 2_545 . ? O4 Pb2 Te 83.31(9) 4_666 . ? O3 Pb2 Te 45.70(8) . . ? O2 Pb2 Te 55.50(9) 4_666 . ? O4 Pb2 Te 108.05(8) 2_545 . ? Te Pb2 Te 114.194(7) 2_546 . ? S Pb2 Te 61.31(2) 4_666 . ? O5 Pb2 S 152.00(10) . 2_545 ? O7 Pb2 S 75.94(10) 4_565 2_545 ? O7 Pb2 S 89.76(10) 2_546 2_545 ? O6 Pb2 S 135.04(8) 2_546 2_545 ? O2 Pb2 S 22.58(9) 2_545 2_545 ? O4 Pb2 S 107.55(9) 4_666 2_545 ? O3 Pb2 S 89.51(9) . 2_545 ? O2 Pb2 S 99.06(9) 4_666 2_545 ? O4 Pb2 S 23.80(8) 2_545 2_545 ? Te Pb2 S 113.07(2) 2_546 2_545 ? S Pb2 S 113.44(3) 4_666 2_545 ? Te Pb2 S 131.57(2) . 2_545 ? O5 Pb2 Te 97.02(10) . 4_565 ? O7 Pb2 Te 24.64(9) 4_565 4_565 ? O7 Pb2 Te 86.68(9) 2_546 4_565 ? O6 Pb2 Te 142.26(8) 2_546 4_565 ? O2 Pb2 Te 79.12(9) 2_545 4_565 ? O4 Pb2 Te 155.41(9) 4_666 4_565 ? O3 Pb2 Te 49.72(8) . 4_565 ? O2 Pb2 Te 113.62(8) 4_666 4_565 ? O4 Pb2 Te 53.79(8) 2_545 4_565 ? Te Pb2 Te 114.707(9) 2_546 4_565 ? S Pb2 Te 137.47(2) 4_666 4_565 ? Te Pb2 Te 92.107(8) . 4_565 ? S Pb2 Te 58.48(2) 2_545 4_565 ? O5 Pb2 O3 53.08(12) . 4_666 ? O7 Pb2 O3 137.14(12) 4_565 4_666 ? O7 Pb2 O3 127.18(12) 2_546 4_666 ? O6 Pb2 O3 65.63(11) 2_546 4_666 ? O2 Pb2 O3 127.26(12) 2_545 4_666 ? O4 Pb2 O3 38.11(11) 4_666 4_666 ? O3 Pb2 O3 86.54(6) . 4_666 ? O2 Pb2 O3 37.63(11) 4_666 4_666 ? O4 Pb2 O3 118.70(11) 2_545 4_666 ? Te Pb2 O3 97.45(7) 2_546 4_666 ? S Pb2 O3 22.10(7) 4_666 4_666 ? Te Pb2 O3 46.11(7) . 4_666 ? S Pb2 O3 134.83(7) 2_545 4_666 ? Te Pb2 O3 136.21(8) 4_565 4_666 ? O5 Te O6 93.94(18) . . ? O5 Te O7 93.34(17) . . ? O6 Te O7 89.93(17) . . ? O5 Te O3 78.63(15) . . ? O6 Te O3 79.11(17) . . ? O7 Te O3 165.82(16) . . ? O5 Te O1 167.04(16) . 3_666 ? O6 Te O1 73.11(15) . 3_666 ? O7 Te O1 86.16(17) . 3_666 ? O3 Te O1 99.03(15) . 3_666 ? O5 Te O3 76.64(16) . 4_666 ? O6 Te O3 156.03(15) . 4_666 ? O7 Te O3 69.02(15) . 4_666 ? O3 Te O3 119.45(10) . 4_666 ? O1 Te O3 115.01(14) 3_666 4_666 ? O5 Te O2 83.13(16) . 4_666 ? O6 Te O2 156.65(15) . 4_666 ? O7 Te O2 113.33(14) . 4_666 ? O3 Te O2 77.60(14) . 4_666 ? O1 Te O2 108.97(13) 3_666 4_666 ? O3 Te O2 45.30(12) 4_666 4_666 ? O5 Te O4 147.78(15) . 3_666 ? O6 Te O4 118.27(15) . 3_666 ? O7 Te O4 87.90(15) . 3_666 ? O3 Te O4 105.15(13) . 3_666 ? O1 Te O4 45.18(12) 3_666 3_666 ? O3 Te O4 73.80(13) 4_666 3_666 ? O2 Te O4 67.01(12) 4_666 3_666 ? O5 Te S 101.77(12) . . ? O6 Te S 80.04(13) . . ? O7 Te S 162.33(13) . . ? O3 Te S 23.28(10) . . ? O1 Te S 77.05(11) 3_666 . ? O3 Te S 123.21(9) 4_666 . ? O2 Te S 77.93(8) 4_666 . ? O4 Te S 84.18(8) 3_666 . ? O5 Te O1 115.37(15) . . ? O6 Te O1 98.82(15) . . ? O7 Te O1 149.07(16) . . ? O3 Te O1 43.37(13) . . ? O1 Te O1 68.47(17) 3_666 . ? O3 Te O1 105.14(12) 4_666 . ? O2 Te O1 62.43(12) 4_666 . ? O4 Te O1 61.79(11) 3_666 . ? S Te O1 24.10(8) . . ? O5 Te Pb2 94.00(12) . 2_556 ? O6 Te Pb2 50.79(12) . 2_556 ? O7 Te Pb2 39.15(12) . 2_556 ? O3 Te Pb2 128.97(11) . 2_556 ? O1 Te Pb2 77.45(11) 3_666 2_556 ? O3 Te Pb2 107.20(8) 4_666 2_556 ? O2 Te Pb2 152.33(8) 4_666 2_556 ? O4 Te Pb2 106.69(8) 3_666 2_556 ? S Te Pb2 129.31(3) . 2_556 ? O1 Te Pb2 140.40(9) . 2_556 ? O5 Te S 169.99(13) . 3_666 ? O6 Te S 94.83(12) . 3_666 ? O7 Te S 81.84(13) . 3_666 ? O3 Te S 107.80(10) . 3_666 ? O1 Te S 22.11(10) 3_666 3_666 ? O3 Te S 93.41(11) 4_666 3_666 ? O2 Te S 90.69(9) 4_666 3_666 ? O4 Te S 24.08(9) 3_666 3_666 ? S Te S 84.53(3) . 3_666 ? O1 Te S 67.95(9) . 3_666 ? Pb2 Te S 87.81(2) 2_556 3_666 ? O5 Te Pb2 33.84(12) . . ? O6 Te Pb2 112.28(12) . . ? O7 Te Pb2 120.04(13) . . ? O3 Te Pb2 57.77(11) . . ? O1 Te Pb2 152.45(11) 3_666 . ? O3 Te Pb2 71.66(10) 4_666 . ? O2 Te Pb2 55.12(9) 4_666 . ? O4 Te Pb2 121.61(8) 3_666 . ? S Te Pb2 77.44(2) . . ? O1 Te Pb2 83.99(9) . . ? Pb2 Te Pb2 127.762(10) 2_556 . ? S Te Pb2 143.80(2) 3_666 . ? O5 Te S 75.73(13) . 4_666 ? O6 Te S 169.65(12) . 4_666 ? O7 Te S 91.42(12) . 4_666 ? O3 Te S 97.80(12) . 4_666 ? O1 Te S 117.22(10) 3_666 4_666 ? O3 Te S 22.44(9) 4_666 4_666 ? O2 Te S 23.30(8) 4_666 4_666 ? O4 Te S 72.05(9) 3_666 4_666 ? S Te S 101.08(3) . 4_666 ? O1 Te S 85.22(9) . 4_666 ? Pb2 Te S 129.54(2) 2_556 4_666 ? S Te S 95.528(10) 3_666 4_666 ? Pb2 Te S 58.43(2) . 4_666 ? O5 Te Pb1 41.42(11) . 2_546 ? O6 Te Pb1 104.03(12) . 2_546 ? O7 Te Pb1 53.91(13) . 2_546 ? O3 Te Pb1 119.90(10) . 2_546 ? O1 Te Pb1 140.07(11) 3_666 2_546 ? O3 Te Pb1 54.59(10) 4_666 2_546 ? O2 Te Pb1 89.10(8) 4_666 2_546 ? O4 Te Pb1 122.78(8) 3_666 2_546 ? S Te Pb1 142.67(3) . 2_546 ? O1 Te Pb1 147.85(9) . 2_546 ? Pb2 Te Pb1 71.467(9) 2_556 2_546 ? S Te Pb1 131.00(2) 3_666 2_546 ? Pb2 Te Pb1 66.595(8) . 2_546 ? S Te Pb1 68.78(2) 4_666 2_546 ? O1 S O2 111.5(3) . . ? O1 S O3 110.3(3) . . ? O2 S O3 108.8(3) . . ? O1 S O4 108.9(3) . . ? O2 S O4 107.7(3) . . ? O3 S O4 109.5(3) . . ? O1 S Te 78.3(2) . . ? O2 S Te 153.9(2) . . ? O3 S Te 46.09(19) . . ? O4 S Te 90.54(19) . . ? O1 S Pb2 157.4(2) . 4_565 ? O2 S Pb2 63.2(2) . 4_565 ? O3 S Pb2 91.8(2) . 4_565 ? O4 S Pb2 56.91(19) . 4_565 ? Te S Pb2 116.56(4) . 4_565 ? O1 S Te 47.8(2) . 3_666 ? O2 S Te 109.0(2) . 3_666 ? O3 S Te 141.54(19) . 3_666 ? O4 S Te 64.45(19) . 3_666 ? Te S Te 95.47(3) . 3_666 ? Pb2 S Te 111.29(4) 4_565 3_666 ? O1 S Pb2 92.7(2) . 2 ? O2 S Pb2 51.2(2) . 2 ? O3 S Pb2 155.00(19) . 2 ? O4 S Pb2 69.97(18) . 2 ? Te S Pb2 154.81(5) . 2 ? Pb2 S Pb2 66.56(3) 4_565 2 ? Te S Pb2 62.17(2) 3_666 2 ? O1 S Te 138.5(2) . 4_565 ? O2 S Te 59.9(2) . 4_565 ? O3 S Te 50.36(18) . 4_565 ? O4 S Te 112.3(2) . 4_565 ? Te S Te 96.28(3) . 4_565 ? Pb2 S Te 60.26(2) 4_565 4_565 ? Te S Te 167.85(4) 3_666 4_565 ? Pb2 S Te 105.68(3) 2 4_565 ? O1 S Pb1 102.2(2) . . ? O2 S Pb1 134.1(2) . . ? O3 S Pb1 86.5(2) . . ? O4 S Pb1 29.15(18) . . ? Te S Pb1 61.44(2) . . ? Pb2 S Pb1 73.68(3) 4_565 . ? Te S Pb1 72.06(3) 3_666 . ? Pb2 S Pb1 98.43(3) 2 . ? Te S Pb1 111.21(4) 4_565 . ? O1 S Pb1 82.2(2) . 2_545 ? O2 S Pb1 34.3(2) . 2_545 ? O3 S Pb1 104.6(2) . 2_545 ? O4 S Pb1 136.83(19) . 2_545 ? Te S Pb1 132.55(4) . 2_545 ? Pb2 S Pb1 97.14(3) 4_565 2_545 ? Te S Pb1 102.52(3) 3_666 2_545 ? Pb2 S Pb1 67.88(2) 2 2_545 ? Te S Pb1 71.45(3) 4_565 2_545 ? Pb1 S Pb1 165.98(4) . 2_545 ? O1 S Pb1 11.4(2) . 3_666 ? O2 S Pb1 113.6(2) . 3_666 ? O3 S Pb1 99.5(2) . 3_666 ? O4 S Pb1 117.21(19) . 3_666 ? Te S Pb1 71.48(3) . 3_666 ? Pb2 S Pb1 168.68(4) 4_565 3_666 ? Te S Pb1 58.58(2) 3_666 3_666 ? Pb2 S Pb1 102.69(3) 2 3_666 ? Te S Pb1 128.75(4) 4_565 3_666 ? Pb1 S Pb1 105.63(3) . 3_666 ? Pb1 S Pb1 81.25(3) 2_545 3_666 ? S O1 Pb1 162.4(3) . 3_666 ? S O1 Te 110.1(3) . 3_666 ? Pb1 O1 Te 86.58(14) 3_666 3_666 ? S O1 Te 77.6(2) . . ? Pb1 O1 Te 91.29(15) 3_666 . ? Te O1 Te 111.53(17) 3_666 . ? S O1 Pb1 76.4(2) . 2_545 ? Pb1 O1 Pb1 101.25(15) 3_666 2_545 ? Te O1 Pb1 117.66(16) 3_666 2_545 ? Te O1 Pb1 129.68(15) . 2_545 ? S O1 Pb2 66.0(2) . 2 ? Pb1 O1 Pb2 129.12(17) 3_666 2 ? Te O1 Pb2 64.00(10) 3_666 2 ? Te O1 Pb2 136.86(14) . 2 ? Pb1 O1 Pb2 63.96(8) 2_545 2 ? S O1 Pb2 122.3(3) . 4_665 ? Pb1 O1 Pb2 70.67(11) 3_666 4_665 ? Te O1 Pb2 58.71(9) 3_666 4_665 ? Te O1 Pb2 159.21(15) . 4_665 ? Pb1 O1 Pb2 66.16(9) 2_545 4_665 ? Pb2 O1 Pb2 58.72(8) 2 4_665 ? S O2 Pb1 128.5(3) . 2_545 ? S O2 Pb2 106.2(2) . 2 ? Pb1 O2 Pb2 93.86(14) 2_545 2 ? S O2 Pb2 92.6(2) . 4_565 ? Pb1 O2 Pb2 138.03(16) 2_545 4_565 ? Pb2 O2 Pb2 80.14(12) 2 4_565 ? S O2 Te 96.8(2) . 4_565 ? Pb1 O2 Te 94.52(14) 2_545 4_565 ? Pb2 O2 Te 142.48(17) 2 4_565 ? Pb2 O2 Te 69.38(11) 4_565 4_565 ? S O3 Te 110.6(2) . . ? S O3 Te 107.2(2) . 4_565 ? Te O3 Te 141.74(17) . 4_565 ? S O3 Pb1 126.4(3) . 3_566 ? Te O3 Pb1 78.67(12) . 3_566 ? Te O3 Pb1 74.54(11) 4_565 3_566 ? S O3 Pb2 145.5(3) . . ? Te O3 Pb2 76.53(11) . . ? Te O3 Pb2 75.71(11) 4_565 . ? Pb1 O3 Pb2 87.94(11) 3_566 . ? S O3 Pb2 66.11(18) . 4_565 ? Te O3 Pb2 130.41(18) . 4_565 ? Te O3 Pb2 62.23(8) 4_565 4_565 ? Pb1 O3 Pb2 68.83(9) 3_566 4_565 ? Pb2 O3 Pb2 135.72(14) . 4_565 ? S O3 Pb1 72.3(2) . . ? Te O3 Pb1 64.33(10) . . ? Te O3 Pb1 124.36(15) 4_565 . ? Pb1 O3 Pb1 65.03(10) 3_566 . ? Pb2 O3 Pb1 135.47(14) . . ? Pb2 O3 Pb1 68.27(8) 4_565 . ? S O4 Pb1 135.2(3) . . ? S O4 Pb2 98.9(2) . 4_565 ? Pb1 O4 Pb2 102.94(15) . 4_565 ? S O4 Te 91.5(2) . 3_666 ? Pb1 O4 Te 95.27(14) . 3_666 ? Pb2 O4 Te 141.08(16) 4_565 3_666 ? S O4 Pb2 86.23(19) . 2 ? Pb1 O4 Pb2 137.00(17) . 2 ? Pb2 O4 Pb2 75.30(10) 4_565 2 ? Te O4 Pb2 68.05(9) 3_666 2 ? S O4 Te 66.49(18) . . ? Pb1 O4 Te 68.78(10) . . ? Pb2 O4 Te 122.66(15) 4_565 . ? Te O4 Te 95.91(11) 3_666 . ? Pb2 O4 Te 148.43(14) 2 . ? S O4 Pb1 84.7(2) . 3_566 ? Pb1 O4 Pb1 68.57(10) . 3_566 ? Pb2 O4 Pb1 67.82(9) 4_565 3_566 ? Te O4 Pb1 150.92(14) 3_666 3_566 ? Pb2 O4 Pb1 140.01(14) 2 3_566 ? Te O4 Pb1 56.19(7) . 3_566 ? Te O5 Pb2 119.44(19) . . ? Te O5 Pb1 109.92(16) . 2_546 ? Pb2 O5 Pb1 109.50(15) . 2_546 ? Te O5 Pb1 89.14(14) . 3_566 ? Pb2 O5 Pb1 102.99(13) . 3_566 ? Pb1 O5 Pb1 125.53(14) 2_546 3_566 ? Te O5 Pb2 58.90(10) . 2_556 ? Pb2 O5 Pb2 176.45(15) . 2_556 ? Pb1 O5 Pb2 74.01(9) 2_546 2_556 ? Pb1 O5 Pb2 74.12(8) 3_566 2_556 ? Te O6 Pb1 122.96(19) . . ? Te O6 Pb1 112.59(17) . 3_566 ? Pb1 O6 Pb1 106.09(15) . 3_566 ? Te O6 Pb2 97.23(16) . 2_556 ? Pb1 O6 Pb2 102.29(14) . 2_556 ? Pb1 O6 Pb2 115.38(15) 3_566 2_556 ? Te O7 Pb2 123.9(2) . 4_666 ? Te O7 Pb2 110.79(17) . 2_556 ? Pb2 O7 Pb2 112.08(15) 4_666 2_556 ? Te O7 Pb1 95.33(15) . 2_546 ? Pb2 O7 Pb1 108.45(14) 4_666 2_546 ? Pb2 O7 Pb1 102.73(14) 2_556 2_546 ? _refine_diff_density_max 2.208 _refine_diff_density_min -1.306 _refine_diff_density_rms 0.395 _shelx_res_file ; TITL adanite adanite.res created by SHELXL-2016/6 at 00:02:49 on 10-Aug-2019 CELL 0.71075 7.38300 10.75450 9.35165 90.00000 111.50000 90.00000 ZERR 4 0.00027 0.00045 0.00066 0.00000 0.00780 0.00000 LATT 1 SYMM .50-X, .50+Y, .50-Z SFAC O PB S TE UNIT 28 8 4 4 L.S. 10 CONN 15 3.0 PB1 CONN 15 3.0 PB2 CONN 15 3.0 TE FMAP 2 PLAN 8 ACTA SIZE 0.130 0.090 0.040 WGHT 0.011200 3.682100 EXTI 0.001156 FVAR 0.26848 PB1 2 0.139272 0.657309 0.502859 11.00000 0.01816 0.00963 = 0.01757 0.00169 0.00606 -0.00152 PB2 2 0.280675 0.039662 0.568390 11.00000 0.01471 0.01140 = 0.01948 -0.00373 0.00604 -0.00151 TE 4 0.396114 0.362157 0.690924 11.00000 0.01105 0.00544 = 0.01332 -0.00104 0.00443 -0.00027 S 3 0.275201 0.381113 0.293730 11.00000 0.01414 0.01350 = 0.01647 0.00026 0.00698 -0.00205 O1 1 0.487279 0.389641 0.350188 11.00000 0.01629 0.03392 = 0.05104 0.00604 0.01263 0.00070 O2 1 0.195511 0.332242 0.135952 11.00000 0.04143 0.02252 = 0.01876 -0.00470 0.00855 -0.00074 O3 1 0.213680 0.299253 0.394195 11.00000 0.02894 0.02862 = 0.02284 0.00489 0.00803 -0.01105 O4 1 0.193393 0.507693 0.292009 11.00000 0.02853 0.02106 = 0.03055 -0.00522 0.01277 0.00085 O5 1 0.264369 0.216208 0.708871 11.00000 0.02545 0.00682 = 0.01539 -0.00111 0.00875 -0.00495 O6 1 0.170857 0.462964 0.637185 11.00000 0.01335 0.00643 = 0.02502 0.00113 0.00719 0.00074 O7 1 0.461572 0.405855 0.900679 11.00000 0.01561 0.01422 = 0.01528 -0.00515 0.00170 0.00196 HKLF 4 REM adanite REM R1 = 0.0221 for 1906 Fo > 4sig(Fo) and 0.0241 for all 2011 data REM 101 parameters refined using 0 restraints END WGHT 0.0111 3.7004 REM Highest difference peak 2.208, deepest hole -1.306, 1-sigma level 0.395 Q1 1 0.3677 0.0379 0.6524 11.00000 0.05 2.21 Q2 1 0.1767 0.6597 0.5956 11.00000 0.05 2.20 Q3 1 0.0713 0.6610 0.4233 11.00000 0.05 2.13 Q4 1 0.1812 0.0398 0.4827 11.00000 0.05 1.77 Q5 1 0.0585 0.6796 0.5240 11.00000 0.05 1.73 Q6 1 0.3033 0.3605 0.6053 11.00000 0.05 1.61 Q7 1 0.1720 0.5555 0.5436 11.00000 0.05 1.59 Q8 1 0.3019 0.1440 0.6138 11.00000 0.05 1.57 ; _shelx_res_checksum 90306 _shelx_hkl_file ; 0 -1 1 65.34 1.86 0 -1 1 53.63 2.38 0 1 -1 64.41 1.83 0 1 -1 60.41 3.64 0 -1 -1 58.78 1.72 0 -1 -1 61.84 2.41 0 -1 -1 69.32 2.50 0 1 -1 63.26 2.23 0 1 1 62.64 2.50 0 1 1 56.84 2.26 0 -1 1 64.65 2.36 -1 0 1 4527.27 238.22 -1 0 1 6226.82 274.07 1 0 -1 5762.79 276.54 -1 0 1 6637.07 275.70 1 0 -1 6381.58 261.73 1 -1 0 151.97 3.13 -1 -1 0 167.01 5.68 -1 1 0 145.24 4.18 -1 1 0 142.84 5.85 -1 1 0 143.18 2.74 1 1 0 146.20 3.93 1 -1 0 162.58 4.15 1 1 0 145.53 5.71 -1 -1 0 144.41 3.80 1 -1 0 162.76 8.86 1 1 0 143.23 3.39 1 -1 -1 188.83 3.16 1 -1 -1 171.60 3.65 -1 1 1 178.57 9.27 -1 1 1 188.55 3.61 -1 -1 1 169.25 4.16 -1 -1 1 172.85 9.15 1 -1 -1 193.80 6.70 1 1 -1 184.11 7.14 -1 1 1 173.61 5.00 1 1 -1 160.03 3.12 1 1 -1 178.58 4.13 -1 -1 1 172.94 4.40 0 -2 0 1004.52 39.22 0 -2 0 1109.74 32.15 0 2 0 1127.19 32.39 0 -2 0 1046.85 47.44 0 2 0 1033.67 36.16 0 2 0 1111.35 41.53 1 0 1 321.91 5.86 -1 0 -1 320.14 14.29 -1 0 -1 365.52 6.34 1 0 1 345.61 11.84 0 -2 -1 44.37 3.75 0 2 1 53.52 3.46 0 -2 1 43.89 4.77 0 2 1 41.94 5.51 0 -2 -1 60.89 4.84 0 2 -1 39.62 5.06 0 2 1 55.13 4.87 0 -2 1 50.94 4.92 0 -2 -1 42.07 4.90 0 2 -1 51.51 5.01 0 -2 1 66.12 5.70 -1 0 2 8.41 1.32 -1 0 2 -0.92 2.52 1 0 -2 6.38 1.60 -1 0 2 4.07 1.06 -1 0 2 5.39 0.82 0 0 2 4185.10 197.61 0 0 -2 5113.74 214.33 0 0 2 5287.02 210.96 0 0 2 5357.06 214.06 0 0 2 4617.15 195.29 0 0 -2 4313.18 197.13 -1 1 -1 2173.86 93.01 -1 -1 -1 2178.27 65.90 1 -1 1 2220.45 71.54 1 1 1 2186.30 65.51 1 1 1 2224.47 67.35 1 1 1 2122.48 67.29 -1 -1 -1 2046.30 62.17 -1 -1 -1 2183.59 72.82 1 -1 1 2059.88 89.24 1 -1 1 2155.70 64.40 -1 1 -1 2025.41 63.71 -1 1 -1 2258.30 67.02 -1 2 0 1470.79 59.80 -1 2 0 1423.23 50.59 -1 2 0 1355.66 49.89 1 2 0 1297.07 38.22 1 2 0 1325.42 55.19 -1 -2 0 1379.96 56.21 -1 -2 0 1315.36 45.78 1 -2 0 1349.40 43.96 1 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36.88 5 8 5 206.20 36.49 5 -8 5 160.60 73.71 -9 5 3 1899.29 102.41 -9 5 3 2033.67 168.45 -9 -5 3 2058.99 174.32 -9 -5 3 2033.55 122.77 9 -5 -3 2245.41 330.26 0 12 -6 1536.58 204.38 0 12 6 1293.90 154.39 0 -12 -6 1362.35 144.26 0 -12 -6 1353.61 183.70 0 -12 6 1271.85 171.85 0 12 -6 1185.76 131.58 0 -12 6 1146.00 141.60 0 -12 6 1162.78 136.46 0 -12 6 1171.54 147.19 0 12 6 1298.37 177.71 4 -8 -10 48.63 27.62 -4 8 10 62.44 27.58 -4 -8 10 29.57 30.16 -4 8 10 55.90 17.02 -4 8 10 46.88 13.57 4 -8 -10 92.66 21.41 4 8 -10 61.42 25.17 -4 -8 10 49.52 37.39 -4 -8 10 53.12 16.88 4 -8 -10 37.14 28.18 4 8 -10 40.90 22.98 4 8 -10 80.99 26.55 -6 -8 9 7.31 14.44 -6 -8 9 15.70 19.62 -6 -8 9 -7.37 26.21 6 8 -9 12.39 14.89 -6 8 9 14.95 23.32 6 -8 -9 9.37 20.16 6 -8 -9 22.03 24.43 -6 8 9 27.58 19.42 6 8 -9 26.69 13.47 6 8 -9 13.37 11.02 -2 -6 11 2038.86 183.33 -2 -6 11 1951.81 232.55 2 6 -11 2071.69 183.22 -2 -6 11 1919.90 153.36 -2 -6 11 2048.14 257.54 -2 6 11 2033.52 178.16 -2 6 11 1823.51 165.34 -2 6 11 1983.54 192.70 -2 6 11 1931.81 127.52 2 -6 -11 2004.24 207.94 9 -1 0 3.28 14.11 9 1 0 141.25 26.18 9 1 0 88.97 35.81 -6 11 4 418.65 52.10 6 -11 -4 272.63 78.34 -6 -11 4 260.01 42.29 6 11 -4 390.58 47.36 6 11 -4 293.47 39.97 6 -11 -4 353.21 100.71 -6 11 4 262.81 41.14 7 -6 3 275.85 38.47 -7 -6 -3 378.44 35.84 7 -6 3 305.82 89.23 7 -6 3 354.94 34.01 7 6 3 386.84 73.86 7 -6 3 329.55 112.83 5 -12 -1 27.23 20.21 5 -12 -1 13.33 23.71 -5 -12 1 51.22 49.61 5 12 -1 60.39 25.43 -5 -12 1 20.44 32.44 5 -12 -1 2.53 30.24 5 -12 -1 31.84 37.36 -5 12 1 79.63 24.54 -5 12 1 49.07 23.84 5 12 -1 49.66 28.05 -7 -2 11 -1.48 15.87 7 2 -11 0.68 14.18 -7 -2 11 -7.78 21.10 7 -2 -11 18.39 22.79 -7 2 11 24.46 16.32 -7 2 11 9.31 10.45 -7 -2 11 -0.75 5.97 -2 -2 12 -5.63 12.50 2 2 -12 18.48 14.04 -2 2 12 9.26 18.41 -2 2 12 12.97 6.89 -2 2 12 21.67 9.85 -2 2 12 4.32 7.98 2 -2 -12 -18.12 16.14 -2 -2 12 10.06 18.91 -2 -2 12 -7.11 9.82 -2 -2 12 11.34 6.58 8 -6 -8 154.41 62.91 -8 -6 8 84.79 49.97 8 6 -8 85.50 17.62 -8 -6 8 103.07 26.15 -8 -6 8 132.87 19.53 -8 6 8 188.52 56.10 -8 -6 8 89.05 45.12 -8 6 8 119.67 21.16 8 6 -8 90.40 19.66 8 -8 -4 555.50 96.43 8 -8 -4 503.40 72.65 -8 -8 4 447.32 76.90 -8 8 4 564.19 86.46 -8 -8 4 533.74 96.78 -8 8 4 476.58 69.84 8 8 -4 570.40 59.01 8 8 -4 656.40 80.73 2 -3 10 13.52 16.87 2 -3 10 6.49 12.49 2 3 10 0.87 8.21 2 3 10 18.72 16.35 -2 -3 -10 34.10 28.98 -2 3 -10 20.06 28.73 2 3 10 29.59 16.83 -3 -3 12 87.87 30.72 -3 3 12 68.03 13.16 -3 -3 12 93.08 25.89 -3 -3 12 98.94 23.14 -3 -3 12 81.44 24.51 -3 3 12 90.21 20.65 -3 3 12 88.88 21.48 3 -3 -12 73.32 45.66 3 3 -12 93.64 39.25 -3 3 12 127.46 25.77 -3 3 12 70.52 14.07 -9 4 7 65.42 21.17 -9 4 7 57.52 12.45 -9 4 7 104.14 48.28 -9 -4 7 28.90 32.72 9 4 -7 56.72 15.14 -9 -4 7 41.65 15.44 -9 -4 7 43.65 12.01 9 -4 -7 79.97 26.36 -3 4 -9 223.15 50.87 3 4 9 303.81 48.40 3 4 9 235.91 31.32 3 4 9 253.38 22.20 -3 -4 -9 228.74 81.78 3 -4 9 225.49 43.56 3 -4 9 226.31 57.89 -4 -3 12 503.32 60.45 -4 -3 12 573.40 61.20 4 3 -12 495.86 81.75 -4 3 12 457.61 59.34 -4 -3 12 398.34 49.96 -4 -3 12 460.90 67.40 -4 3 12 494.48 33.08 -4 3 12 399.13 55.90 -4 3 12 485.87 59.19 -4 3 12 446.14 59.13 4 -3 -12 526.42 110.07 -5 2 12 123.26 38.97 -5 2 12 67.53 16.32 -5 2 12 70.88 14.57 5 2 -12 119.92 22.59 5 -2 -12 110.08 28.11 -5 2 12 95.51 16.80 -5 -2 12 70.95 10.95 -5 -2 12 98.21 41.19 -5 -2 12 87.96 25.80 8 -2 -10 791.92 85.05 -8 2 10 729.69 60.47 -8 2 10 910.34 151.84 8 2 -10 803.68 99.01 -8 -2 10 990.78 168.64 7 -4 4 590.46 111.81 -7 -4 -4 584.73 60.07 7 4 4 683.62 87.28 7 -4 4 556.07 35.24 7 -4 4 592.53 53.68 7 -4 4 558.80 102.16 8 8 -3 1002.87 116.03 8 -8 -3 730.98 109.40 -8 8 3 814.20 91.61 -8 -8 3 833.57 114.16 -8 -8 3 843.65 100.34 8 8 -3 707.65 70.48 8 -8 -3 870.62 201.77 8 -8 -3 791.94 63.75 -4 -12 -2 738.95 119.56 4 -12 2 693.08 136.46 -4 -12 -2 657.54 116.36 -4 12 -2 761.66 92.84 4 -12 2 667.87 116.72 -4 12 -2 681.95 104.91 4 12 2 774.71 104.11 4 12 2 749.12 136.95 4 -12 2 628.38 111.06 4 -12 2 751.04 119.94 0 -4 11 508.71 53.28 0 4 11 467.76 59.76 0 4 11 417.79 42.34 0 4 -11 497.62 101.49 0 -4 11 447.45 70.49 0 -4 11 507.79 89.70 0 -4 11 466.37 40.27 0 -4 11 428.13 33.78 0 -4 -11 499.62 105.39 0 4 11 448.92 39.42 0 4 11 506.11 73.20 0 4 11 482.34 51.10 2 13 3 89.07 39.44 2 13 3 99.28 50.38 -2 13 -3 93.78 29.92 2 -13 3 89.01 30.73 -2 13 -3 88.36 23.10 2 -13 3 77.61 35.72 2 -13 3 99.57 46.79 2 -13 3 137.40 25.04 -2 -13 -3 112.29 59.36 -2 -13 -3 105.82 46.13 7 9 0 13.42 7.50 -7 -9 0 27.57 20.26 7 9 0 6.48 15.03 7 -9 0 21.84 20.63 7 -9 0 41.35 39.42 -7 9 0 6.48 17.52 7 -9 0 21.95 17.49 -7 -9 0 -2.72 23.73 8 -7 -7 728.20 154.86 8 7 -7 565.78 39.49 8 -7 -7 594.63 89.50 -8 7 7 501.62 72.97 -8 7 7 707.56 87.89 -8 -7 7 555.93 77.27 -8 -7 7 680.80 119.12 -5 -12 4 816.59 98.06 5 12 -4 1299.93 165.97 -5 -12 4 1137.09 201.23 -5 12 4 1466.72 101.16 5 12 -4 874.19 132.66 -5 12 4 974.80 102.42 -5 12 4 1116.38 107.31 5 -12 -4 1170.94 144.51 5 -12 -4 1036.74 116.02 5 -12 -4 964.29 185.82 1 -14 1 6.46 22.45 -1 14 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