MEJILLONESITE _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'Na1 Mg2 P2 O11 H7' _chemical_formula_weight 314.59 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' 'Mg' 'Mg' 0.0486 0.0363 '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' _symmetry_cell_setting ? _symmetry_space_group_name_H-M ? loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y, z+1/2' 'x+1/2, -y+1/2, -z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, y, -z-1/2' '-x-1/2, y-1/2, z' 'x, -y-1/2, z-1/2' _cell_length_a 16.2950(10) _cell_length_b 13.009(2) _cell_length_c 8.4340(10) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 1787.9(4) _cell_formula_units_Z 8 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.367 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1014 _exptl_absorpt_coefficient_mu 0.557 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 2599 _diffrn_reflns_av_R_equivalents 0.0000 _diffrn_reflns_av_sigmaI/netI 0.2037 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 22 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_limit_l_max 11 _diffrn_reflns_theta_min 3.13 _diffrn_reflns_theta_max 30.02 _reflns_number_total 2599 _reflns_number_gt 754 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0010P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.00000(15) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 2599 _refine_ls_number_parameters 169 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1627 _refine_ls_R_factor_gt 0.0546 _refine_ls_wR_factor_ref 0.0791 _refine_ls_wR_factor_gt 0.0665 _refine_ls_goodness_of_fit_ref 0.813 _refine_ls_restrained_S_all 0.813 _refine_ls_shift/su_max 4.630 _refine_ls_shift/su_mean 0.028 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_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group P1 P 0.13815(11) 0.05337(11) 0.1427(2) 0.0094(5) Uani 0.922(5) 1 d P . . P2 P 0.14323(10) 0.78756(10) 0.6463(2) 0.0101(5) Uani 0.928(6) 1 d P . . Mg1 Mg 0.24342(13) 0.88344(18) 0.94810(19) 0.0123(7) Uani 0.964(6) 1 d P . . Mg2 Mg 0.24381(13) 0.88807(15) 0.3390(2) 0.0132(6) Uani 0.976(6) 1 d P . . Na1 Na 0.03217(16) 0.8840(2) 0.9344(3) 0.0215(9) Uani 0.910(7) 1 d P . . O11 O 0.1935(3) 0.0297(3) 0.2903(4) 0.0163(11) Uani 1 1 d . . . O12 O 0.1179(2) 0.1699(3) 0.1360(5) 0.0168(9) Uani 1 1 d . . . O13 O 0.1868(3) 0.0243(3) 0.9898(4) 0.0186(11) Uani 1 1 d . . . O14 O 0.0584(2) 0.9911(3) 0.1504(5) 0.0230(10) Uani 1 1 d . . . O21 O 0.1929(2) 0.8129(2) 0.1437(5) 0.0177(9) Uani 1 1 d . . . O22 O 0.1600(3) 0.6423(3) 0.0081(4) 0.0229(12) Uani 1 1 d . . . O23 O 0.1501(3) 0.8421(3) 0.8052(4) 0.0208(11) Uani 1 1 d . . . O24 O 0.0473(2) 0.7454(3) 0.1266(5) 0.0245(10) Uani 1 1 d . . . OZ2 O 0.1701(3) 0.4293(3) 0.1350(5) 0.0227(11) Uani 1 1 d . . . OH O 0.9888(3) 0.8722(4) 0.3494(7) 0.0322(13) Uani 1 1 d . . . OZ1 O 0.1865(2) 0.2491(4) 0.8892(5) 0.0207(10) Uani 1 1 d . . . H1 H 0.175(4) 0.486(4) 0.181(8) 0.053 Uiso 1 1 d . . . H2 H 0.162(4) 0.243(5) -0.184(8) 0.044 Uiso 1 1 d . . . H3 H 0.136(4) 0.452(5) 0.064(7) 0.053 Uiso 1 1 d . . . H4 H -0.003(3) -0.375(4) 0.030(5) 0.024 Uiso 1 1 d . . . H5 H 0.141(4) 0.209(4) -0.047(8) 0.052 Uiso 1 1 d . . . H6 H 0.025(4) -0.103(6) 0.361(11) 0.055 Uiso 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 P1 0.0145(9) 0.0091(8) 0.0046(8) -0.0002(7) -0.0014(9) -0.0007(7) P2 0.0160(9) 0.0097(7) 0.0046(8) -0.0018(7) 0.0003(9) -0.0001(7) Mg1 0.0166(12) 0.0161(12) 0.0041(9) 0.0001(10) 0.0020(9) -0.0020(12) Mg2 0.0189(12) 0.0112(11) 0.0096(10) -0.0034(10) 0.0013(10) 0.0021(11) Na1 0.0234(16) 0.0272(16) 0.0139(13) -0.0009(13) 0.0012(12) 0.0080(15) O11 0.023(3) 0.023(2) 0.0033(18) 0.0009(17) -0.0029(19) -0.001(2) O12 0.024(2) 0.023(2) 0.0032(17) -0.001(2) -0.001(2) 0.0078(18) O13 0.028(3) 0.022(2) 0.007(2) 0.0040(18) 0.005(2) -0.002(2) O14 0.022(2) 0.024(2) 0.024(2) -0.007(2) -0.002(2) -0.0078(19) O21 0.030(2) 0.0154(19) 0.0074(18) 0.004(2) -0.003(2) -0.0079(19) O22 0.033(3) 0.015(2) 0.021(2) -0.0065(19) 0.009(2) -0.001(2) O23 0.031(3) 0.021(2) 0.011(2) -0.0062(16) -0.003(2) -0.002(2) O24 0.015(2) 0.029(2) 0.030(2) -0.004(2) -0.002(2) 0.007(2) OZ2 0.040(3) 0.018(2) 0.011(2) -0.004(2) 0.003(2) 0.005(2) OH 0.038(3) 0.035(3) 0.023(2) 0.005(3) 0.001(3) 0.001(3) OZ1 0.023(2) 0.0143(18) 0.024(2) -0.0029(18) -0.002(2) -0.001(3) _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 P1 O14 1.533(4) 1_545 ? P1 O12 1.553(3) . ? P1 O13 1.561(4) 1_554 ? P1 O11 1.567(4) . ? P1 Na1 2.965(3) 5_566 ? P1 Na1 3.306(3) 1_544 ? P2 O22 1.505(4) 8_576 ? P2 O23 1.521(4) . ? P2 O21 1.538(3) 8_576 ? P2 O24 1.629(4) 8_576 ? P2 Na1 3.279(3) . ? P2 Na1 3.384(3) 8_575 ? Mg1 O23 2.014(5) . ? Mg1 O11 2.026(4) 2_565 ? Mg1 O21 2.059(4) 1_556 ? Mg1 O13 2.081(5) 1_565 ? Mg1 OZ1 2.146(5) 7_665 ? Mg1 OZ2 2.197(5) 7_666 ? Mg1 Mg2 3.119(3) 2_575 ? Mg1 Mg2 3.297(2) 1_556 ? Mg1 Na1 3.444(3) . ? Mg1 Mg2 3.650(3) 8_576 ? Mg2 O22 2.015(4) 8_576 ? Mg2 O13 2.048(4) 2_564 ? Mg2 O11 2.058(4) 1_565 ? Mg2 O21 2.087(4) . ? Mg2 OZ1 2.158(5) 2_564 ? Mg2 OZ2 2.284(5) 7_665 ? Mg2 Mg1 3.119(3) 2_574 ? Mg2 Mg1 3.297(2) 1_554 ? Mg2 Mg1 3.650(3) 8_575 ? Na1 O23 2.275(5) . ? Na1 O14 2.309(4) 5_576 ? Na1 O14 2.333(5) 1_556 ? Na1 O24 2.437(5) 1_556 ? Na1 O12 2.612(5) 5_566 ? Na1 P1 2.965(3) 5_566 ? Na1 P1 3.306(3) 1_566 ? Na1 Na1 3.382(6) 5_577 ? Na1 P2 3.384(3) 8_576 ? O11 Mg1 2.026(4) 2_564 ? O11 Mg2 2.058(4) 1_545 ? O12 Na1 2.612(5) 5_566 ? O13 P1 1.561(4) 1_556 ? O13 Mg2 2.048(4) 2_565 ? O13 Mg1 2.081(5) 1_545 ? O14 P1 1.533(4) 1_565 ? O14 Na1 2.309(4) 5_576 ? O14 Na1 2.333(5) 1_554 ? O21 P2 1.538(3) 8_575 ? O21 Mg1 2.059(4) 1_554 ? O22 P2 1.505(4) 8_575 ? O22 Mg2 2.015(4) 8_575 ? O24 P2 1.629(4) 8_575 ? O24 Na1 2.437(5) 1_554 ? OZ2 Mg1 2.197(5) 7_654 ? OZ2 Mg2 2.284(5) 7_655 ? OZ1 Mg1 2.146(5) 7_655 ? OZ1 Mg2 2.158(5) 2_565 ? 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 O14 P1 O12 109.7(2) 1_545 . ? O14 P1 O13 109.7(2) 1_545 1_554 ? O12 P1 O13 108.3(2) . 1_554 ? O14 P1 O11 110.5(2) 1_545 . ? O12 P1 O11 110.1(2) . . ? O13 P1 O11 108.4(2) 1_554 . ? O14 P1 Na1 50.28(16) 1_545 5_566 ? O12 P1 Na1 61.59(16) . 5_566 ? O13 P1 Na1 111.18(18) 1_554 5_566 ? O11 P1 Na1 140.06(17) . 5_566 ? O14 P1 Na1 39.39(17) 1_545 1_544 ? O12 P1 Na1 121.36(17) . 1_544 ? O13 P1 Na1 70.41(17) 1_554 1_544 ? O11 P1 Na1 126.26(17) . 1_544 ? Na1 P1 Na1 65.02(9) 5_566 1_544 ? O22 P2 O23 112.7(2) 8_576 . ? O22 P2 O21 114.1(2) 8_576 8_576 ? O23 P2 O21 111.8(2) . 8_576 ? O22 P2 O24 104.7(3) 8_576 8_576 ? O23 P2 O24 106.4(3) . 8_576 ? O21 P2 O24 106.3(2) 8_576 8_576 ? O22 P2 Na1 116.23(17) 8_576 . ? O23 P2 Na1 37.71(18) . . ? O21 P2 Na1 128.78(19) 8_576 . ? O24 P2 Na1 69.31(18) 8_576 . ? O22 P2 Na1 95.02(18) 8_576 8_575 ? O23 P2 Na1 144.36(19) . 8_575 ? O21 P2 Na1 73.36(16) 8_576 8_575 ? O24 P2 Na1 42.23(17) 8_576 8_575 ? Na1 P2 Na1 110.39(10) . 8_575 ? O23 Mg1 O11 97.98(17) . 2_565 ? O23 Mg1 O21 93.37(18) . 1_556 ? O11 Mg1 O21 167.82(18) 2_565 1_556 ? O23 Mg1 O13 90.07(18) . 1_565 ? O11 Mg1 O13 81.06(17) 2_565 1_565 ? O21 Mg1 O13 94.59(16) 1_556 1_565 ? O23 Mg1 OZ1 92.66(18) . 7_665 ? O11 Mg1 OZ1 91.85(18) 2_565 7_665 ? O21 Mg1 OZ1 92.02(18) 1_556 7_665 ? O13 Mg1 OZ1 172.7(2) 1_565 7_665 ? O23 Mg1 OZ2 170.54(19) . 7_666 ? O11 Mg1 OZ2 89.68(18) 2_565 7_666 ? O21 Mg1 OZ2 78.61(16) 1_556 7_666 ? O13 Mg1 OZ2 85.63(18) 1_565 7_666 ? OZ1 Mg1 OZ2 92.63(18) 7_665 7_666 ? O23 Mg1 Mg2 97.36(13) . 2_575 ? O11 Mg1 Mg2 40.59(12) 2_565 2_575 ? O21 Mg1 Mg2 133.45(13) 1_556 2_575 ? O13 Mg1 Mg2 40.56(12) 1_565 2_575 ? OZ1 Mg1 Mg2 132.25(14) 7_665 2_575 ? OZ2 Mg1 Mg2 84.84(13) 7_666 2_575 ? O23 Mg1 Mg2 127.21(15) . 1_556 ? O11 Mg1 Mg2 130.21(15) 2_565 1_556 ? O21 Mg1 Mg2 37.61(11) 1_556 1_556 ? O13 Mg1 Mg2 79.39(12) 1_565 1_556 ? OZ1 Mg1 Mg2 104.19(14) 7_665 1_556 ? OZ2 Mg1 Mg2 43.65(13) 7_666 1_556 ? Mg2 Mg1 Mg2 106.12(7) 2_575 1_556 ? O23 Mg1 Na1 39.23(13) . . ? O11 Mg1 Na1 118.93(15) 2_565 . ? O21 Mg1 Na1 68.20(12) 1_556 . ? O13 Mg1 Na1 63.97(14) 1_565 . ? OZ1 Mg1 Na1 121.72(15) 7_665 . ? OZ2 Mg1 Na1 131.65(15) 7_666 . ? Mg2 Mg1 Na1 93.15(8) 2_575 . ? Mg2 Mg1 Na1 92.03(8) 1_556 . ? O23 Mg1 Mg2 65.93(12) . 8_576 ? O11 Mg1 Mg2 111.91(13) 2_565 8_576 ? O21 Mg1 Mg2 76.80(12) 1_556 8_576 ? O13 Mg1 Mg2 153.55(17) 1_565 8_576 ? OZ1 Mg1 Mg2 32.08(12) 7_665 8_576 ? OZ2 Mg1 Mg2 116.28(14) 7_666 8_576 ? Mg2 Mg1 Mg2 147.97(7) 2_575 8_576 ? Mg2 Mg1 Mg2 105.65(7) 1_556 8_576 ? Na1 Mg1 Mg2 89.72(9) . 8_576 ? O22 Mg2 O13 92.50(17) 8_576 2_564 ? O22 Mg2 O11 92.69(17) 8_576 1_565 ? O13 Mg2 O11 81.11(17) 2_564 1_565 ? O22 Mg2 O21 101.40(18) 8_576 . ? O13 Mg2 O21 165.94(19) 2_564 . ? O11 Mg2 O21 95.95(16) 1_565 . ? O22 Mg2 OZ1 93.17(17) 8_576 2_564 ? O13 Mg2 OZ1 92.75(19) 2_564 2_564 ? O11 Mg2 OZ1 171.7(2) 1_565 2_564 ? O21 Mg2 OZ1 88.67(17) . 2_564 ? O22 Mg2 OZ2 175.00(19) 8_576 7_665 ? O13 Mg2 OZ2 89.89(17) 2_564 7_665 ? O11 Mg2 OZ2 83.34(16) 1_565 7_665 ? O21 Mg2 OZ2 76.09(14) . 7_665 ? OZ1 Mg2 OZ2 91.10(16) 2_564 7_665 ? O22 Mg2 Mg1 91.33(13) 8_576 2_574 ? O13 Mg2 Mg1 41.34(13) 2_564 2_574 ? O11 Mg2 Mg1 39.85(12) 1_565 2_574 ? O21 Mg2 Mg1 134.91(12) . 2_574 ? OZ1 Mg2 Mg1 134.05(15) 2_564 2_574 ? OZ2 Mg2 Mg1 87.56(12) 7_665 2_574 ? O22 Mg2 Mg1 134.69(16) 8_576 1_554 ? O13 Mg2 Mg1 129.21(15) 2_564 1_554 ? O11 Mg2 Mg1 79.40(11) 1_565 1_554 ? O21 Mg2 Mg1 37.03(11) . 1_554 ? OZ1 Mg2 Mg1 100.51(14) 2_564 1_554 ? OZ2 Mg2 Mg1 41.61(12) 7_665 1_554 ? Mg1 Mg2 Mg1 108.22(7) 2_574 1_554 ? O22 Mg2 Mg1 68.30(12) 8_576 8_575 ? O13 Mg2 Mg1 112.53(14) 2_564 8_575 ? O11 Mg2 Mg1 156.34(16) 1_565 8_575 ? O21 Mg2 Mg1 75.23(11) . 8_575 ? OZ1 Mg2 Mg1 31.88(12) 2_564 8_575 ? OZ2 Mg2 Mg1 114.74(12) 7_665 8_575 ? Mg1 Mg2 Mg1 147.99(7) 2_574 8_575 ? Mg1 Mg2 Mg1 103.56(7) 1_554 8_575 ? O23 Na1 O14 124.05(17) . 5_576 ? O23 Na1 O14 111.23(17) . 1_556 ? O14 Na1 O14 86.46(17) 5_576 1_556 ? O23 Na1 O24 93.21(16) . 1_556 ? O14 Na1 O24 142.33(18) 5_576 1_556 ? O14 Na1 O24 84.49(16) 1_556 1_556 ? O23 Na1 O12 128.15(16) . 5_566 ? O14 Na1 O12 61.34(13) 5_576 5_566 ? O14 Na1 O12 120.61(16) 1_556 5_566 ? O24 Na1 O12 92.71(14) 1_556 5_566 ? O23 Na1 P1 138.72(13) . 5_566 ? O14 Na1 P1 30.71(10) 5_576 5_566 ? O14 Na1 P1 100.27(13) 1_556 5_566 ? O24 Na1 P1 116.37(13) 1_556 5_566 ? O12 Na1 P1 31.54(8) 5_566 5_566 ? O23 Na1 P2 24.14(10) . . ? O14 Na1 P2 113.12(13) 5_576 . ? O14 Na1 P2 134.91(14) 1_556 . ? O24 Na1 P2 98.86(13) 1_556 . ? O12 Na1 P2 104.22(12) 5_566 . ? P1 Na1 P2 117.35(9) 5_566 . ? O23 Na1 P1 88.44(13) . 1_566 ? O14 Na1 P1 91.67(13) 5_576 1_566 ? O14 Na1 P1 24.64(11) 1_556 1_566 ? O24 Na1 P1 94.97(13) 1_556 1_566 ? O12 Na1 P1 142.08(13) 5_566 1_566 ? P1 Na1 P1 114.98(9) 5_566 1_566 ? P2 Na1 P1 111.13(9) . 1_566 ? O23 Na1 Na1 129.20(18) . 5_577 ? O14 Na1 Na1 43.51(11) 5_576 5_577 ? O14 Na1 Na1 42.95(11) 1_556 5_577 ? O24 Na1 Na1 118.30(15) 1_556 5_577 ? O12 Na1 Na1 91.37(13) 5_566 5_577 ? P1 Na1 Na1 62.36(8) 5_566 5_577 ? P2 Na1 Na1 139.03(13) . 5_577 ? P1 Na1 Na1 52.61(8) 1_566 5_577 ? O23 Na1 P2 69.12(11) . 8_576 ? O14 Na1 P2 165.85(14) 5_576 8_576 ? O14 Na1 P2 83.31(12) 1_556 8_576 ? O24 Na1 P2 26.69(9) 1_556 8_576 ? O12 Na1 P2 116.33(13) 5_566 8_576 ? P1 Na1 P2 142.92(10) 5_566 8_576 ? P2 Na1 P2 81.02(7) . 8_576 ? P1 Na1 P2 83.07(7) 1_566 8_576 ? Na1 Na1 P2 125.55(11) 5_577 8_576 ? O23 Na1 Mg1 34.05(10) . . ? O14 Na1 Mg1 130.58(15) 5_576 . ? O14 Na1 Mg1 77.99(12) 1_556 . ? O24 Na1 Mg1 82.81(11) 1_556 . ? O12 Na1 Mg1 160.51(14) 5_566 . ? P1 Na1 Mg1 160.65(11) 5_566 . ? P2 Na1 Mg1 58.16(6) . . ? P1 Na1 Mg1 57.40(7) 1_566 . ? Na1 Na1 Mg1 107.49(13) 5_577 . ? P2 Na1 Mg1 56.38(6) 8_576 . ? P1 O11 Mg1 134.7(2) . 2_564 ? P1 O11 Mg2 124.3(2) . 1_545 ? Mg1 O11 Mg2 99.56(18) 2_564 1_545 ? P1 O12 Na1 86.87(17) . 5_566 ? P1 O13 Mg2 131.2(3) 1_556 2_565 ? P1 O13 Mg1 125.3(2) 1_556 1_545 ? Mg2 O13 Mg1 98.10(19) 2_565 1_545 ? P1 O14 Na1 99.0(2) 1_565 5_576 ? P1 O14 Na1 116.0(2) 1_565 1_554 ? Na1 O14 Na1 93.54(17) 5_576 1_554 ? P2 O21 Mg1 126.9(3) 8_575 1_554 ? P2 O21 Mg2 126.6(2) 8_575 . ? Mg1 O21 Mg2 105.36(17) 1_554 . ? P2 O22 Mg2 142.2(3) 8_575 8_575 ? P2 O23 Mg1 135.0(3) . . ? P2 O23 Na1 118.2(3) . . ? Mg1 O23 Na1 106.72(16) . . ? P2 O24 Na1 111.1(2) 8_575 1_554 ? Mg1 OZ2 Mg2 94.74(18) 7_654 7_655 ? Mg1 OZ1 Mg2 116.03(18) 7_655 2_565 ? _diffrn_measured_fraction_theta_max 0.997 _diffrn_reflns_theta_full 30.02 _diffrn_measured_fraction_theta_full 0.997 _refine_diff_density_max 0.789 _refine_diff_density_min -1.220 _refine_diff_density_rms 0.156