data_shelx _audit_creation_method 'SHELXL-2018/1' _shelx_SHELXL_version_number '2018/1' _chemical_name_common 'whiteite-(MnMnMg)' _chemical_formula_sum 'Al1.82 H14 Ca0.39 K0.01 Mg2.26 Mn1.49 Na0.03 O26 P4' _chemical_formula_weight 756.61 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Na' 'Na' 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Al' 'Al' 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'P' 'P' 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Ca' 'Ca' 0.2262 0.3064 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'K' 'K' 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Mg' 'Mg' 0.0486 0.0363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Mn' 'Mn' 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _space_group_crystal_system 'monoclinic' _space_group_IT_number ? _space_group_name_H-M_alt 'P2/a' _space_group_name_Hall '-P 2ya' _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, -z' '-x, -y, -z' 'x-1/2, -y, z' _cell_length_a 15.0357(18) _cell_length_b 6.9408(5) _cell_length_c 9.9431(9) _cell_angle_alpha 90 _cell_angle_beta 110.827(8) _cell_angle_gamma 90 _cell_volume 969.86(17) _cell_formula_units_Z 2 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 44654 _cell_measurement_theta_min 2.546 _cell_measurement_theta_max 30.034 _exptl_crystal_description prism _exptl_crystal_colour orange _exptl_crystal_density_meas 2.61 _exptl_crystal_density_diffrn 2.591 _exptl_crystal_F_000 757 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.11 _exptl_crystal_size_mid 0.07 _exptl_crystal_size_min 0.02 _exptl_absorpt_coefficient_mu 1.712 _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_correction_T_min 0.824 _exptl_absorpt_correction_T_max 0.929 _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_source 'fine-focus sealed tube' _diffrn_measurement_device_type 'KappaCCD' _diffrn_measurement_method '\f,w scans' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 25265 _diffrn_reflns_av_unetI/netI 0.0407 _diffrn_reflns_av_R_equivalents . _diffrn_reflns_limit_h_min -21 _diffrn_reflns_limit_h_max 21 _diffrn_reflns_limit_k_min -9 _diffrn_reflns_limit_k_max 9 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_limit_l_max 13 _diffrn_reflns_theta_min 2.899 _diffrn_reflns_theta_max 30.219 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 0.976 _diffrn_measured_fraction_theta_full 0.982 _diffrn_reflns_Laue_measured_fraction_max 0.976 _diffrn_reflns_Laue_measured_fraction_full 0.982 _diffrn_reflns_point_group_measured_fraction_max 0.976 _diffrn_reflns_point_group_measured_fraction_full 0.982 _reflns_number_total 25265 _reflns_number_gt 23703 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_max . _reflns_Friedel_fraction_full . _reflns_special_details ; _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 ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement 'SHELXL-2018/1 (Sheldrick, 2018)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refined as a 2-component twin. ; _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^)+(0.0673P)^2^+2.2707P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens difmap _refine_ls_hydrogen_treatment refxyz _refine_ls_extinction_method 'SHELXL-2018/1 (Sheldrick 2018)' _refine_ls_extinction_coef 0.011(5) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 25265 _refine_ls_number_parameters 192 _refine_ls_number_restraints 10 _refine_ls_R_factor_all 0.0433 _refine_ls_R_factor_gt 0.0396 _refine_ls_wR_factor_ref 0.1214 _refine_ls_wR_factor_gt 0.1104 _refine_ls_goodness_of_fit_ref 1.147 _refine_ls_restrained_S_all 1.148 _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 MnX Mn 0.250000 0.96332(11) 0.000000 0.0193(2) Uani 0.57 2 d S T P . . CaX Ca 0.250000 0.96332(11) 0.000000 0.0193(2) Uani 0.39 2 d S T P . . NaX Na 0.250000 0.96332(11) 0.000000 0.0193(2) Uani 0.03 2 d S T P . . KX K 0.250000 0.96332(11) 0.000000 0.0193(2) Uani 0.01 2 d S T P . . MnM1 Mn 0.250000 0.46379(10) 0.000000 0.0119(2) Uani 0.92 2 d S T P . . MgM1 Mg 0.250000 0.46379(10) 0.000000 0.0119(2) Uani 0.08 2 d S T P . . Mg1A Mg 0.500000 0.000000 0.500000 0.0061(3) Uani 1 2 d S . P . . Mg2A Mg 0.250000 0.50254(18) 0.500000 0.0053(3) Uani 1 2 d S T P . . Al2 Al 0.000000 0.000000 0.000000 0.0061(3) Uani 0.91 2 d S . P . . Mg2 Mg 0.000000 0.000000 0.000000 0.0061(3) Uani 0.09 2 d S . P . . Al3 Al 0.000000 0.500000 0.000000 0.0053(3) Uani 0.91 2 d S . P . . Mg3 Mg 0.000000 0.500000 0.000000 0.0053(3) Uani 0.09 2 d S . P . . P1 P 0.17761(5) 0.25464(10) 0.18935(9) 0.0120(2) Uani 1 1 d . . . . . P2 P 0.08209(5) 0.74881(10) 0.80415(9) 0.0111(2) Uani 1 1 d . . . . . O1 O 0.26524(17) 0.2062(4) 0.1480(3) 0.0260(6) Uani 1 1 d . . . . . O2 O 0.20714(19) 0.2949(3) 0.3480(3) 0.0222(5) Uani 1 1 d . . . . . O3 O 0.10982(17) 0.0832(3) 0.1505(3) 0.0244(5) Uani 1 1 d . . . . . O4 O 0.13398(14) 0.4327(3) 0.0933(2) 0.0143(4) Uani 1 1 d . . . . . O5 O 0.18921(15) 0.6944(3) 0.8555(2) 0.0184(5) Uani 1 1 d . . . . . O6 O 0.04660(16) 0.7830(3) 0.6426(2) 0.0170(5) Uani 1 1 d . . . . . O7 O 0.08062(16) 0.9323(3) 0.8916(3) 0.0191(5) Uani 1 1 d . . . . . O8 O 0.02511(15) 0.5859(3) 0.8379(2) 0.0152(4) Uani 1 1 d . . . . . OH9 O 0.02159(15) 0.7501(3) 0.0851(2) 0.0124(4) Uani 1 1 d . . . . . OW10 O 0.22716(19) 0.7279(4) 0.3441(3) 0.0249(6) Uani 1 1 d D . . . . OW11 O 0.4464(2) 0.2178(4) 0.3433(3) 0.0308(7) Uani 1 1 d D . . . . OW12 O 0.63093(18) 0.9986(4) 0.4694(3) 0.0260(6) Uani 1 1 d D . . . . OW13 O 0.39149(18) 0.5151(4) 0.5129(3) 0.0221(6) Uani 1 1 d D . . . . H10a H 0.234(4) 0.725(7) 0.263(6) 0.048 Uiso 1 1 d D U . . . H11a H 0.391(4) 0.198(7) 0.270(6) 0.048 Uiso 1 1 d D U . . . H12a H 0.648(3) 0.905(7) 0.433(6) 0.048 Uiso 1 1 d D U . . . H13a H 0.414(3) 0.601(7) 0.473(6) 0.048 Uiso 1 1 d D U . . . H13b H 0.423(4) 0.473(8) 0.581(6) 0.048 Uiso 1 1 d D U . . . 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 MnX 0.0191(4) 0.0114(4) 0.0208(4) 0.000 -0.0013(3) 0.000 CaX 0.0191(4) 0.0114(4) 0.0208(4) 0.000 -0.0013(3) 0.000 NaX 0.0191(4) 0.0114(4) 0.0208(4) 0.000 -0.0013(3) 0.000 KX 0.0191(4) 0.0114(4) 0.0208(4) 0.000 -0.0013(3) 0.000 MnM1 0.0134(3) 0.0114(4) 0.0128(4) 0.000 0.0069(3) 0.000 MgM1 0.0134(3) 0.0114(4) 0.0128(4) 0.000 0.0069(3) 0.000 Mg1A 0.0058(6) 0.0047(6) 0.0072(6) -0.0031(4) 0.0015(5) -0.0003(4) Mg2A 0.0057(6) 0.0058(6) 0.0053(6) 0.000 0.0030(5) 0.000 Al2 0.0067(5) 0.0027(5) 0.0096(6) 0.0003(4) 0.0037(4) 0.0009(4) Mg2 0.0067(5) 0.0027(5) 0.0096(6) 0.0003(4) 0.0037(4) 0.0009(4) Al3 0.0058(5) 0.0025(5) 0.0088(6) 0.0004(4) 0.0040(4) 0.0008(4) Mg3 0.0058(5) 0.0025(5) 0.0088(6) 0.0004(4) 0.0040(4) 0.0008(4) P1 0.0128(4) 0.0117(4) 0.0118(4) -0.0005(3) 0.0050(3) 0.0003(3) P2 0.0113(4) 0.0110(4) 0.0117(4) 0.0019(3) 0.0050(3) 0.0012(2) O1 0.0175(12) 0.0400(15) 0.0243(13) 0.0092(11) 0.0122(10) 0.0107(10) O2 0.0357(14) 0.0168(11) 0.0132(11) -0.0028(9) 0.0074(10) -0.0013(10) O3 0.0259(12) 0.0102(10) 0.0262(13) 0.0023(9) -0.0043(10) -0.0029(9) O4 0.0140(10) 0.0101(10) 0.0187(11) 0.0012(8) 0.0055(8) -0.0008(7) O5 0.0130(10) 0.0241(12) 0.0177(12) 0.0038(9) 0.0048(9) 0.0033(8) O6 0.0190(11) 0.0177(11) 0.0128(11) 0.0043(8) 0.0039(9) 0.0021(8) O7 0.0285(12) 0.0103(10) 0.0245(12) -0.0002(9) 0.0168(10) -0.0028(8) O8 0.0207(11) 0.0100(10) 0.0182(11) 0.0003(8) 0.0109(9) -0.0003(8) OH9 0.0141(10) 0.0080(9) 0.0153(11) 0.0001(7) 0.0054(9) -0.0003(7) OW10 0.0343(15) 0.0242(13) 0.0215(13) 0.0035(10) 0.0163(12) 0.0075(10) OW11 0.0395(16) 0.0164(12) 0.0226(14) -0.0008(10) -0.0059(12) -0.0034(11) OW12 0.0222(13) 0.0222(13) 0.0368(16) -0.0126(11) 0.0143(12) -0.0055(10) OW13 0.0174(11) 0.0179(12) 0.0314(15) 0.0050(10) 0.0092(10) -0.0002(9) _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 MnX O1 2.196(3) 1_565 ? MnX O1 2.196(3) 2_565 ? MnX O5 2.334(2) 1_554 ? MnX O5 2.334(2) 2_556 ? MnX O7 2.396(2) 1_554 ? MnX O7 2.396(2) 2_556 ? MnM1 O5 2.128(2) 2_556 ? MnM1 O5 2.128(2) 1_554 ? MnM1 O4 2.258(2) . ? MnM1 O4 2.258(2) 2 ? MnM1 O1 2.275(3) . ? MnM1 O1 2.275(3) 2 ? MnM1 P1 2.8799(9) 2 ? MnM1 P1 2.8799(9) . ? Mg1A O6 2.016(2) 4_665 ? Mg1A O6 2.016(2) 2_546 ? Mg1A OW12 2.096(3) 3_666 ? Mg1A OW12 2.096(3) 1_545 ? Mg1A OW11 2.114(3) . ? Mg1A OW11 2.114(3) 3_656 ? Mg2A O2 2.020(2) . ? Mg2A O2 2.020(2) 2_556 ? Mg2A OW13 2.087(3) . ? Mg2A OW13 2.087(3) 2_556 ? Mg2A OW10 2.142(3) . ? Mg2A OW10 2.142(3) 2_556 ? Al2 O3 1.882(2) 3 ? Al2 O3 1.882(2) . ? Al2 OH9 1.907(2) 3_565 ? Al2 OH9 1.907(2) 1_545 ? Al2 O7 1.945(2) 1_544 ? Al2 O7 1.945(2) 3_566 ? Al3 O8 1.879(2) 3_566 ? Al3 O8 1.879(2) 1_554 ? Al3 OH9 1.908(2) . ? Al3 OH9 1.908(2) 3_565 ? Al3 O4 1.951(2) . ? Al3 O4 1.951(2) 3_565 ? P1 O2 1.506(2) . ? P1 O3 1.524(2) . ? P1 O1 1.550(2) . ? P1 O4 1.557(2) . ? P2 O6 1.521(2) . ? P2 O8 1.526(2) . ? P2 O7 1.547(2) . ? P2 O5 1.553(2) . ? OW10 H10a 0.85(5) . ? OW11 H11a 0.90(5) . ? OW12 H12a 0.82(5) . ? OW13 H13a 0.85(5) . ? OW13 H13b 0.74(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 O1 MnX O1 79.69(13) 1_565 2_565 ? O1 MnX O5 162.01(8) 1_565 1_554 ? O1 MnX O5 106.06(9) 2_565 1_554 ? O1 MnX O5 106.06(9) 1_565 2_556 ? O1 MnX O5 162.01(8) 2_565 2_556 ? O5 MnX O5 73.83(11) 1_554 2_556 ? O1 MnX O7 102.21(8) 1_565 1_554 ? O1 MnX O7 85.78(8) 2_565 1_554 ? O5 MnX O7 61.99(7) 1_554 1_554 ? O5 MnX O7 109.03(8) 2_556 1_554 ? O1 MnX O7 85.78(8) 1_565 2_556 ? O1 MnX O7 102.21(8) 2_565 2_556 ? O5 MnX O7 109.03(8) 1_554 2_556 ? O5 MnX O7 61.99(7) 2_556 2_556 ? O7 MnX O7 169.69(11) 1_554 2_556 ? O5 MnM1 O5 82.42(13) 2_556 1_554 ? O5 MnM1 O4 90.21(8) 2_556 . ? O5 MnM1 O4 98.04(8) 1_554 . ? O5 MnM1 O4 98.04(8) 2_556 2 ? O5 MnM1 O4 90.21(8) 1_554 2 ? O4 MnM1 O4 169.05(11) . 2 ? O5 MnM1 O1 103.54(9) 2_556 . ? O5 MnM1 O1 161.49(8) 1_554 . ? O4 MnM1 O1 64.79(8) . . ? O4 MnM1 O1 106.02(8) 2 . ? O5 MnM1 O1 161.49(8) 2_556 2 ? O5 MnM1 O1 103.54(9) 1_554 2 ? O4 MnM1 O1 106.02(8) . 2 ? O4 MnM1 O1 64.79(8) 2 2 ? O1 MnM1 O1 76.41(14) . 2 ? O5 MnM1 P1 130.47(6) 2_556 2 ? O5 MnM1 P1 96.28(6) 1_554 2 ? O4 MnM1 P1 138.34(6) . 2 ? O4 MnM1 P1 32.52(5) 2 2 ? O1 MnM1 P1 93.00(7) . 2 ? O1 MnM1 P1 32.37(6) 2 2 ? O5 MnM1 P1 96.28(6) 2_556 . ? O5 MnM1 P1 130.47(6) 1_554 . ? O4 MnM1 P1 32.52(5) . . ? O4 MnM1 P1 138.34(6) 2 . ? O1 MnM1 P1 32.37(6) . . ? O1 MnM1 P1 93.00(7) 2 . ? P1 MnM1 P1 119.46(4) 2 . ? O6 Mg1A O6 180.0 4_665 2_546 ? O6 Mg1A OW12 90.24(10) 4_665 3_666 ? O6 Mg1A OW12 89.76(10) 2_546 3_666 ? O6 Mg1A OW12 89.76(10) 4_665 1_545 ? O6 Mg1A OW12 90.24(10) 2_546 1_545 ? OW12 Mg1A OW12 180.0 3_666 1_545 ? O6 Mg1A OW11 85.99(10) 4_665 . ? O6 Mg1A OW11 94.01(10) 2_546 . ? OW12 Mg1A OW11 88.38(12) 3_666 . ? OW12 Mg1A OW11 91.62(12) 1_545 . ? O6 Mg1A OW11 94.01(10) 4_665 3_656 ? O6 Mg1A OW11 85.99(10) 2_546 3_656 ? OW12 Mg1A OW11 91.62(12) 3_666 3_656 ? OW12 Mg1A OW11 88.38(12) 1_545 3_656 ? OW11 Mg1A OW11 180.0 . 3_656 ? O2 Mg2A O2 89.01(14) . 2_556 ? O2 Mg2A OW13 97.05(11) . . ? O2 Mg2A OW13 86.38(11) 2_556 . ? O2 Mg2A OW13 86.38(11) . 2_556 ? O2 Mg2A OW13 97.05(11) 2_556 2_556 ? OW13 Mg2A OW13 175.22(16) . 2_556 ? O2 Mg2A OW10 93.05(10) . . ? O2 Mg2A OW10 171.24(10) 2_556 . ? OW13 Mg2A OW10 84.92(11) . . ? OW13 Mg2A OW10 91.58(11) 2_556 . ? O2 Mg2A OW10 171.24(10) . 2_556 ? O2 Mg2A OW10 93.05(10) 2_556 2_556 ? OW13 Mg2A OW10 91.58(11) . 2_556 ? OW13 Mg2A OW10 84.92(11) 2_556 2_556 ? OW10 Mg2A OW10 86.19(15) . 2_556 ? O3 Al2 O3 180.0 3 . ? O3 Al2 OH9 87.90(9) 3 3_565 ? O3 Al2 OH9 92.10(9) . 3_565 ? O3 Al2 OH9 92.10(9) 3 1_545 ? O3 Al2 OH9 87.90(9) . 1_545 ? OH9 Al2 OH9 180.00(14) 3_565 1_545 ? O3 Al2 O7 91.65(11) 3 1_544 ? O3 Al2 O7 88.35(11) . 1_544 ? OH9 Al2 O7 90.86(9) 3_565 1_544 ? OH9 Al2 O7 89.14(9) 1_545 1_544 ? O3 Al2 O7 88.35(11) 3 3_566 ? O3 Al2 O7 91.65(11) . 3_566 ? OH9 Al2 O7 89.14(9) 3_565 3_566 ? OH9 Al2 O7 90.86(9) 1_545 3_566 ? O7 Al2 O7 180.00(15) 1_544 3_566 ? O8 Al3 O8 180.00(12) 3_566 1_554 ? O8 Al3 OH9 87.86(9) 3_566 . ? O8 Al3 OH9 92.14(9) 1_554 . ? O8 Al3 OH9 92.14(9) 3_566 3_565 ? O8 Al3 OH9 87.86(9) 1_554 3_565 ? OH9 Al3 OH9 180.0 . 3_565 ? O8 Al3 O4 90.27(9) 3_566 . ? O8 Al3 O4 89.73(9) 1_554 . ? OH9 Al3 O4 91.30(9) . . ? OH9 Al3 O4 88.70(9) 3_565 . ? O8 Al3 O4 89.73(9) 3_566 3_565 ? O8 Al3 O4 90.27(9) 1_554 3_565 ? OH9 Al3 O4 88.70(9) . 3_565 ? OH9 Al3 O4 91.30(9) 3_565 3_565 ? O4 Al3 O4 180.0 . 3_565 ? O2 P1 O3 109.40(15) . . ? O2 P1 O1 110.86(15) . . ? O3 P1 O1 108.57(15) . . ? O2 P1 O4 113.47(13) . . ? O3 P1 O4 111.48(13) . . ? O1 P1 O4 102.82(13) . . ? O2 P1 MnM1 123.52(10) . . ? O3 P1 MnM1 127.00(11) . . ? O1 P1 MnM1 51.80(9) . . ? O4 P1 MnM1 51.21(8) . . ? O6 P2 O8 109.53(13) . . ? O6 P2 O7 113.30(13) . . ? O8 P2 O7 111.41(12) . . ? O6 P2 O5 108.59(13) . . ? O8 P2 O5 110.20(12) . . ? O7 P2 O5 103.63(13) . . ? P1 O1 MnX 116.62(15) . 1_545 ? P1 O1 MnM1 95.83(12) . . ? MnX O1 MnM1 101.95(10) 1_545 . ? P1 O2 Mg2A 144.39(15) . . ? P1 O3 Al2 139.43(15) . . ? P1 O4 Al3 128.31(12) . . ? P1 O4 MnM1 96.27(10) . . ? Al3 O4 MnM1 126.85(11) . . ? P2 O5 MnM1 123.45(13) . 1_556 ? P2 O5 MnX 98.14(11) . 1_556 ? MnM1 O5 MnX 101.88(9) 1_556 1_556 ? P2 O6 Mg1A 139.75(14) . 2_566 ? P2 O7 Al2 130.31(13) . 1_566 ? P2 O7 MnX 95.83(11) . 1_556 ? Al2 O7 MnX 120.08(11) 1_566 1_556 ? P2 O8 Al3 136.36(14) . 1_556 ? Al2 OH9 Al3 130.95(12) 1_565 . ? Mg2A OW10 H10a 129(3) . . ? Mg1A OW11 H11a 119(3) . . ? Mg1A OW12 H12a 122(3) 1_565 . ? Mg2A OW13 H13a 125(3) . . ? Mg2A OW13 H13b 110(4) . . ? H13a OW13 H13b 118(5) . . ? _refine_diff_density_max 1.081 _refine_diff_density_min -0.697 _refine_diff_density_rms 0.131