# Electronic Supplementary Material (ESI) for RSC Advances # This journal is © The Royal Society of Chemistry 2012 data_global _journal_name_full 'RSC Advances' _journal_coden_cambridge 1500 _journal_year ? _journal_volume ? _journal_page_first ? _publ_contact_author_email wgf@ms.fjirsm.ac.cn loop_ _publ_author_name 'Bin Xiao' 'Yisheng Huang' 'Lizhen Zhang' 'Zhoubin Lin' 'Guofu Wang' _publ_contact_author_name 'Guofu Wang' data_a _database_code_depnum_ccdc_archive 'CCDC 862022' #TrackingRef '- LiMgAl(MoO4)3.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'Al Mg Mo3 O12, Li' _chemical_formula_sum 'Al Li Mg Mo3 O12' _chemical_formula_weight 538.05 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Li Li -0.0003 0.0001 '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' Mg Mg 0.0486 0.0363 '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' Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 6.6969(7) _cell_length_b 6.8104(5) _cell_length_c 11.3290(7) _cell_angle_alpha 77.597(19) _cell_angle_beta 85.79(2) _cell_angle_gamma 77.94(2) _cell_volume 493.28(7) _cell_formula_units_Z 2 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 1407 _cell_measurement_theta_min 3.1120 _cell_measurement_theta_max 27.5244 _exptl_crystal_description Prism _exptl_crystal_colour gray _exptl_crystal_size_max 0.1500 _exptl_crystal_size_mid 0.1000 _exptl_crystal_size_min 0.1000 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 3.622 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 500 _exptl_absorpt_coefficient_mu 3.968 _exptl_absorpt_correction_type Multi-scan _exptl_absorpt_correction_T_min 0.8845 _exptl_absorpt_correction_T_max 1.0000 _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 'Bruker P4' _diffrn_measurement_method '\w scans' _diffrn_detector_area_resol_mean 14.6306 _diffrn_standards_number 2243 _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 5690 _diffrn_reflns_av_R_equivalents 0.0258 _diffrn_reflns_av_sigmaI/netI 0.0324 _diffrn_reflns_limit_h_min -8 _diffrn_reflns_limit_h_max 8 _diffrn_reflns_limit_k_min -8 _diffrn_reflns_limit_k_max 8 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_theta_min 3.11 _diffrn_reflns_theta_max 27.52 _reflns_number_total 2243 _reflns_number_gt 2093 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker XSCANS' _computing_cell_refinement 'Bruker XSCANS' _computing_data_reduction 'Bruker SHELXTL' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _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^)+(0.0308P)^2^+0.9213P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens - _refine_ls_hydrogen_treatment - _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.0400(13) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_number_reflns 2243 _refine_ls_number_parameters 171 _refine_ls_number_restraints 3 _refine_ls_R_factor_all 0.0294 _refine_ls_R_factor_gt 0.0267 _refine_ls_wR_factor_ref 0.0663 _refine_ls_wR_factor_gt 0.0647 _refine_ls_goodness_of_fit_ref 1.126 _refine_ls_restrained_S_all 1.126 _refine_ls_shift/su_max 0.052 _refine_ls_shift/su_mean 0.001 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 Mo1 Mo 0.25251(5) 0.09508(5) 0.35013(3) 0.00807(11) Uani 1 1 d . . . Mo2 Mo 0.25389(5) -0.30310(5) -0.05050(3) 0.00926(11) Uani 1 1 d . . . Mo3 Mo 0.79747(5) 0.71493(5) 0.31025(3) 0.00968(11) Uani 1 1 d . . . O1 O 0.3955(4) 0.2694(4) 0.3840(2) 0.0123(6) Uani 1 1 d . . . O2 O 0.3005(4) -0.1506(4) 0.4503(3) 0.0135(6) Uani 1 1 d . . . O3 O 0.7128(5) 0.9480(5) 0.3624(3) 0.0192(6) Uani 1 1 d . . . O4 O -0.0082(4) 0.2004(5) 0.3619(3) 0.0173(6) Uani 1 1 d . . . O5 O 0.2955(5) -0.5523(5) 0.0387(3) 0.0207(7) Uani 1 1 d . . . O6 O 0.3160(4) 0.0602(5) 0.2037(3) 0.0160(6) Uani 1 1 d . . . O7 O -0.0034(5) -0.1930(5) -0.0438(3) 0.0236(7) Uani 1 1 d . . . O8 O 0.7475(5) 0.7581(5) 0.1573(3) 0.0207(7) Uani 1 1 d . . . O9 O 0.3186(5) -0.3151(5) -0.2018(3) 0.0176(6) Uani 1 1 d . . . O10 O 0.3877(4) -0.1352(4) 0.0025(3) 0.0145(6) Uani 1 1 d . . . O11 O 1.0564(5) 0.6402(5) 0.3297(3) 0.0252(7) Uani 1 1 d . . . O12 O 0.6667(4) 0.5147(4) 0.3942(2) 0.0114(5) Uani 1 1 d . . . Mg1 Mg 0.69588(17) 0.23124(18) 0.37429(10) 0.0058(2) Uani 0.575(2) 1 d P . 1 Al1 Al 0.69588(17) 0.23124(18) 0.37429(10) 0.0058(2) Uani 0.425(2) 1 d P . 2 Mg2 Mg 0.30267(18) 0.15909(19) 0.02130(11) 0.0110(3) Uani 0.425(2) 1 d P . 1 Al2 Al 0.30267(18) 0.15909(19) 0.02130(11) 0.0110(3) Uani 0.575(2) 1 d P . 2 Li3 Li 0.3259(11) 0.5628(11) 0.4115(7) 0.0198(15) 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 Mo1 0.00767(17) 0.00805(18) 0.00877(18) -0.00200(13) -0.00003(12) -0.00194(12) Mo2 0.01064(18) 0.00903(18) 0.00927(18) -0.00185(13) -0.00075(12) -0.00445(13) Mo3 0.00896(17) 0.00809(18) 0.01188(18) -0.00123(12) 0.00109(12) -0.00276(12) O1 0.0120(13) 0.0115(14) 0.0139(14) -0.0032(11) -0.0016(11) -0.0027(11) O2 0.0131(13) 0.0127(14) 0.0155(14) -0.0013(11) -0.0025(11) -0.0053(11) O3 0.0219(15) 0.0158(15) 0.0218(16) -0.0069(13) 0.0053(12) -0.0069(12) O4 0.0129(14) 0.0148(14) 0.0246(16) -0.0064(12) -0.0003(12) -0.0012(11) O5 0.0308(18) 0.0153(15) 0.0161(15) -0.0007(12) -0.0014(13) -0.0073(13) O6 0.0174(14) 0.0180(15) 0.0137(14) -0.0067(12) -0.0013(11) -0.0024(12) O7 0.0159(15) 0.0298(18) 0.0280(18) -0.0094(14) 0.0009(13) -0.0081(14) O8 0.0296(17) 0.0185(16) 0.0147(15) -0.0026(12) 0.0034(13) -0.0086(13) O9 0.0214(15) 0.0168(15) 0.0161(15) -0.0052(12) 0.0012(12) -0.0056(12) O10 0.0166(14) 0.0151(14) 0.0138(14) -0.0017(11) -0.0035(11) -0.0078(12) O11 0.0117(14) 0.0214(17) 0.041(2) -0.0042(15) -0.0035(14) -0.0025(12) O12 0.0130(13) 0.0115(13) 0.0094(13) -0.0011(10) 0.0026(10) -0.0044(11) Mg1 0.0048(5) 0.0058(5) 0.0071(5) -0.0022(4) 0.0009(4) -0.0014(4) Al1 0.0048(5) 0.0058(5) 0.0071(5) -0.0022(4) 0.0009(4) -0.0014(4) Mg2 0.0093(6) 0.0128(6) 0.0110(6) -0.0025(5) 0.0001(4) -0.0025(5) Al2 0.0093(6) 0.0128(6) 0.0110(6) -0.0025(5) 0.0001(4) -0.0025(5) Li3 0.018(4) 0.013(3) 0.027(4) -0.010(3) 0.000(3) 0.004(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 Mo1 O6 1.736(3) . ? Mo1 O4 1.751(3) . ? Mo1 O1 1.788(3) . ? Mo1 O2 1.790(3) . ? Mo1 Mg1 3.3362(12) . ? Mo1 Mg1 3.4150(14) 2_656 ? Mo2 O7 1.732(3) . ? Mo2 O9 1.751(3) . ? Mo2 O5 1.757(3) . ? Mo2 O10 1.809(3) . ? Mo2 Mg2 3.3751(13) 2_655 ? Mo3 O11 1.719(3) . ? Mo3 O8 1.740(3) . ? Mo3 O3 1.780(3) . ? Mo3 O12 1.830(3) . ? Mo3 Mg1 3.4173(13) . ? O1 Mg1 1.972(3) . ? O1 Li3 2.041(8) . ? O2 Al1 1.946(3) 2_656 ? O2 Mg1 1.946(3) 2_656 ? O2 Li3 2.062(8) 1_545 ? O3 Al1 1.942(3) 1_565 ? O3 Mg1 1.942(3) 1_565 ? O4 Al1 1.946(3) 1_455 ? O4 Mg1 1.946(3) 1_455 ? O5 Al2 2.007(3) 1_545 ? O5 Mg2 2.007(3) 1_545 ? O6 Mg2 2.034(3) . ? O7 Al2 1.973(3) 2 ? O7 Mg2 1.973(3) 2 ? O8 Al2 2.014(3) 2_665 ? O8 Mg2 2.014(3) 2_665 ? O9 Al1 1.919(3) 2_655 ? O9 Mg1 1.919(3) 2_655 ? O10 Mg2 2.018(3) . ? O10 Al2 2.048(3) 2_655 ? O10 Mg2 2.048(3) 2_655 ? O11 Li3 2.008(8) 1_655 ? O12 Mg1 1.959(3) . ? O12 Li3 2.152(8) 2_666 ? O12 Li3 2.237(8) . ? Mg1 O9 1.919(3) 2_655 ? Mg1 O3 1.942(3) 1_545 ? Mg1 O2 1.946(3) 2_656 ? Mg1 O4 1.946(3) 1_655 ? Mg1 Li3 3.033(8) 2_666 ? Mg1 Li3 3.055(7) . ? Mg1 Mo1 3.4150(14) 2_656 ? Mg2 O7 1.973(3) 2 ? Mg2 O5 2.007(3) 1_565 ? Mg2 O8 2.014(3) 2_665 ? Mg2 O10 2.048(3) 2_655 ? Mg2 Mg2 3.128(3) 2_655 ? Mg2 Mo2 3.3751(13) 2_655 ? Li3 O11 2.008(8) 1_455 ? Li3 O2 2.062(8) 1_565 ? Li3 O12 2.152(8) 2_666 ? Li3 Al1 3.033(8) 2_666 ? Li3 Mg1 3.033(8) 2_666 ? Li3 Li3 3.050(15) 2_666 ? 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 Mo1 O4 109.80(14) . . ? O6 Mo1 O1 108.81(13) . . ? O4 Mo1 O1 108.74(13) . . ? O6 Mo1 O2 108.36(14) . . ? O4 Mo1 O2 107.96(13) . . ? O1 Mo1 O2 113.14(13) . . ? O6 Mo1 Mg1 91.72(10) . . ? O4 Mo1 Mg1 137.61(10) . . ? O1 Mo1 Mg1 28.96(9) . . ? O2 Mo1 Mg1 98.49(9) . . ? O6 Mo1 Mg1 132.85(10) . 2_656 ? O4 Mo1 Mg1 98.63(11) . 2_656 ? O1 Mo1 Mg1 95.87(9) . 2_656 ? O2 Mo1 Mg1 24.98(9) . 2_656 ? Mg1 Mo1 Mg1 91.58(3) . 2_656 ? O7 Mo2 O9 107.22(15) . . ? O7 Mo2 O5 109.43(15) . . ? O9 Mo2 O5 109.51(14) . . ? O7 Mo2 O10 106.07(14) . . ? O9 Mo2 O10 111.69(13) . . ? O5 Mo2 O10 112.71(14) . . ? O7 Mo2 Mg2 135.91(11) . 2_655 ? O9 Mo2 Mg2 90.50(10) . 2_655 ? O5 Mo2 Mg2 101.48(11) . 2_655 ? O10 Mo2 Mg2 31.00(10) . 2_655 ? O11 Mo3 O8 109.38(16) . . ? O11 Mo3 O3 108.06(15) . . ? O8 Mo3 O3 109.05(15) . . ? O11 Mo3 O12 110.02(14) . . ? O8 Mo3 O12 109.42(14) . . ? O3 Mo3 O12 110.87(13) . . ? O11 Mo3 Mg1 96.04(11) . . ? O8 Mo3 Mg1 94.52(11) . . ? O3 Mo3 Mg1 137.43(10) . . ? O12 Mo3 Mg1 26.57(9) . . ? Mo1 O1 Mg1 124.99(15) . . ? Mo1 O1 Li3 135.0(3) . . ? Mg1 O1 Li3 99.2(2) . . ? Mo1 O2 Al1 132.16(16) . 2_656 ? Mo1 O2 Mg1 132.16(16) . 2_656 ? Al1 O2 Mg1 0.00(7) 2_656 2_656 ? Mo1 O2 Li3 128.9(3) . 1_545 ? Al1 O2 Li3 98.4(3) 2_656 1_545 ? Mg1 O2 Li3 98.4(3) 2_656 1_545 ? Mo3 O3 Al1 158.69(18) . 1_565 ? Mo3 O3 Mg1 158.69(18) . 1_565 ? Al1 O3 Mg1 0.00(7) 1_565 1_565 ? Mo1 O4 Al1 162.31(18) . 1_455 ? Mo1 O4 Mg1 162.31(18) . 1_455 ? Al1 O4 Mg1 0.00(9) 1_455 1_455 ? Mo2 O5 Al2 139.03(18) . 1_545 ? Mo2 O5 Mg2 139.03(18) . 1_545 ? Al2 O5 Mg2 0.00(7) 1_545 1_545 ? Mo1 O6 Mg2 151.65(18) . . ? Mo2 O7 Al2 162.0(2) . 2 ? Mo2 O7 Mg2 162.0(2) . 2 ? Al2 O7 Mg2 0.00(11) 2 2 ? Mo3 O8 Al2 173.26(19) . 2_665 ? Mo3 O8 Mg2 173.26(19) . 2_665 ? Al2 O8 Mg2 0.00(11) 2_665 2_665 ? Mo2 O9 Al1 156.80(19) . 2_655 ? Mo2 O9 Mg1 156.80(19) . 2_655 ? Al1 O9 Mg1 0.00(7) 2_655 2_655 ? Mo2 O10 Mg2 132.10(16) . . ? Mo2 O10 Al2 121.94(16) . 2_655 ? Mg2 O10 Al2 100.55(13) . 2_655 ? Mo2 O10 Mg2 121.94(16) . 2_655 ? Mg2 O10 Mg2 100.55(13) . 2_655 ? Al2 O10 Mg2 0.00(11) 2_655 2_655 ? Mo3 O11 Li3 159.9(3) . 1_655 ? Mo3 O12 Mg1 128.74(15) . . ? Mo3 O12 Li3 119.9(2) . 2_666 ? Mg1 O12 Li3 95.0(2) . 2_666 ? Mo3 O12 Li3 121.9(2) . . ? Mg1 O12 Li3 93.2(2) . . ? Li3 O12 Li3 88.0(3) 2_666 . ? O9 Mg1 O3 90.30(14) 2_655 1_545 ? O9 Mg1 O2 177.82(14) 2_655 2_656 ? O3 Mg1 O2 90.28(13) 1_545 2_656 ? O9 Mg1 O4 90.14(14) 2_655 1_655 ? O3 Mg1 O4 91.68(13) 1_545 1_655 ? O2 Mg1 O4 91.94(13) 2_656 1_655 ? O9 Mg1 O12 92.11(13) 2_655 . ? O3 Mg1 O12 176.57(13) 1_545 . ? O2 Mg1 O12 87.22(13) 2_656 . ? O4 Mg1 O12 90.75(13) 1_655 . ? O9 Mg1 O1 88.88(13) 2_655 . ? O3 Mg1 O1 89.40(13) 1_545 . ? O2 Mg1 O1 89.03(12) 2_656 . ? O4 Mg1 O1 178.55(14) 1_655 . ? O12 Mg1 O1 88.21(12) . . ? O9 Mg1 Li3 137.08(18) 2_655 2_666 ? O3 Mg1 Li3 132.51(18) 1_545 2_666 ? O2 Mg1 Li3 42.25(17) 2_656 2_666 ? O4 Mg1 Li3 91.31(17) 1_655 2_666 ? O12 Mg1 Li3 44.98(17) . 2_666 ? O1 Mg1 Li3 88.68(17) . 2_666 ? O9 Mg1 Li3 91.77(18) 2_655 . ? O3 Mg1 Li3 130.52(18) 1_545 . ? O2 Mg1 Li3 86.27(18) 2_656 . ? O4 Mg1 Li3 137.73(18) 1_655 . ? O12 Mg1 Li3 46.98(17) . . ? O1 Mg1 Li3 41.26(17) . . ? Li3 Mg1 Li3 60.1(3) 2_666 . ? O9 Mg1 Mo1 83.35(10) 2_655 . ? O3 Mg1 Mo1 64.09(10) 1_545 . ? O2 Mg1 Mo1 95.02(9) 2_656 . ? O4 Mg1 Mo1 154.75(10) 1_655 . ? O12 Mg1 Mo1 113.78(9) . . ? O1 Mg1 Mo1 26.05(8) . . ? Li3 Mg1 Mo1 110.02(15) 2_666 . ? Li3 Mg1 Mo1 67.09(15) . . ? O9 Mg1 Mo1 157.98(10) 2_655 2_656 ? O3 Mg1 Mo1 67.77(10) 1_545 2_656 ? O2 Mg1 Mo1 22.86(9) 2_656 2_656 ? O4 Mg1 Mo1 88.66(10) 1_655 2_656 ? O12 Mg1 Mo1 109.89(9) . 2_656 ? O1 Mg1 Mo1 92.65(9) . 2_656 ? Li3 Mg1 Mo1 64.94(15) 2_666 2_656 ? Li3 Mg1 Mo1 103.80(15) . 2_656 ? Mo1 Mg1 Mo1 88.42(3) . 2_656 ? O9 Mg1 Mo3 75.13(10) 2_655 . ? O3 Mg1 Mo3 158.74(10) 1_545 . ? O2 Mg1 Mo3 104.87(9) 2_656 . ? O4 Mg1 Mo3 73.29(10) 1_655 . ? O12 Mg1 Mo3 24.69(8) . . ? O1 Mg1 Mo3 105.41(9) . . ? Li3 Mg1 Mo3 64.35(15) 2_666 . ? Li3 Mg1 Mo3 66.51(15) . . ? Mo1 Mg1 Mo3 127.60(4) . . ? Mo1 Mg1 Mo3 125.25(4) 2_656 . ? O7 Mg2 O5 91.98(14) 2 1_565 ? O7 Mg2 O8 86.30(14) 2 2_665 ? O5 Mg2 O8 93.49(14) 1_565 2_665 ? O7 Mg2 O10 102.62(14) 2 . ? O5 Mg2 O10 165.34(14) 1_565 . ? O8 Mg2 O10 88.84(13) 2_665 . ? O7 Mg2 O6 86.53(14) 2 . ? O5 Mg2 O6 90.54(13) 1_565 . ? O8 Mg2 O6 171.88(14) 2_665 . ? O10 Mg2 O6 89.03(13) . . ? O7 Mg2 O10 177.91(14) 2 2_655 ? O5 Mg2 O10 85.96(13) 1_565 2_655 ? O8 Mg2 O10 93.47(13) 2_665 2_655 ? O10 Mg2 O10 79.45(13) . 2_655 ? O6 Mg2 O10 93.84(13) . 2_655 ? O7 Mg2 Mg2 142.69(12) 2 2_655 ? O5 Mg2 Mg2 125.32(12) 1_565 2_655 ? O8 Mg2 Mg2 91.52(11) 2_665 2_655 ? O10 Mg2 Mg2 40.08(9) . 2_655 ? O6 Mg2 Mg2 91.89(10) . 2_655 ? O10 Mg2 Mg2 39.38(9) 2_655 2_655 ? O7 Mg2 Mo2 151.13(11) 2 2_655 ? O5 Mg2 Mo2 61.02(10) 1_565 2_655 ? O8 Mg2 Mo2 104.21(10) 2_665 2_655 ? O10 Mg2 Mo2 104.38(9) . 2_655 ? O6 Mg2 Mo2 83.91(9) . 2_655 ? O10 Mg2 Mo2 27.06(8) 2_655 2_655 ? Mg2 Mg2 Mo2 64.98(4) 2_655 2_655 ? O11 Li3 O1 96.0(3) 1_455 . ? O11 Li3 O2 92.9(3) 1_455 1_565 ? O1 Li3 O2 171.0(4) . 1_565 ? O11 Li3 O12 119.7(4) 1_455 2_666 ? O1 Li3 O12 96.7(3) . 2_666 ? O2 Li3 O12 79.4(3) 1_565 2_666 ? O11 Li3 O12 148.3(4) 1_455 . ? O1 Li3 O12 79.4(3) . . ? O2 Li3 O12 92.6(3) 1_565 . ? O12 Li3 O12 92.0(3) 2_666 . ? O11 Li3 Al1 110.2(3) 1_455 2_666 ? O1 Li3 Al1 136.3(4) . 2_666 ? O2 Li3 Al1 39.39(16) 1_565 2_666 ? O12 Li3 Al1 40.05(15) 2_666 2_666 ? O12 Li3 Al1 93.5(3) . 2_666 ? O11 Li3 Mg1 110.2(3) 1_455 2_666 ? O1 Li3 Mg1 136.3(4) . 2_666 ? O2 Li3 Mg1 39.39(16) 1_565 2_666 ? O12 Li3 Mg1 40.05(15) 2_666 2_666 ? O12 Li3 Mg1 93.5(3) . 2_666 ? Al1 Li3 Mg1 0.00(2) 2_666 2_666 ? O11 Li3 Li3 166.9(5) 1_455 2_666 ? O1 Li3 Li3 87.0(3) . 2_666 ? O2 Li3 Li3 84.5(4) 1_565 2_666 ? O12 Li3 Li3 47.1(2) 2_666 2_666 ? O12 Li3 Li3 44.8(2) . 2_666 ? Al1 Li3 Li3 60.3(2) 2_666 2_666 ? Mg1 Li3 Li3 60.3(2) 2_666 2_666 ? O11 Li3 Mg1 129.0(3) 1_455 . ? O1 Li3 Mg1 39.58(15) . . ? O2 Li3 Mg1 132.2(3) 1_565 . ? O12 Li3 Mg1 94.6(3) 2_666 . ? O12 Li3 Mg1 39.82(14) . . ? Al1 Li3 Mg1 119.9(3) 2_666 . ? Mg1 Li3 Mg1 119.9(3) 2_666 . ? Li3 Li3 Mg1 59.6(2) 2_666 . ? _diffrn_measured_fraction_theta_max 0.989 _diffrn_reflns_theta_full 27.52 _diffrn_measured_fraction_theta_full 0.989 _refine_diff_density_max 0.830 _refine_diff_density_min -1.689 _refine_diff_density_rms 0.238