data_global _amcsd_formula_title 'Li Mo O7 P2' loop_ _publ_author_name 'Ledain S' 'Leclaire A' 'Borel M' 'Raveau B' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 52 _journal_year 1996 _journal_page_first 1593 _journal_page_last 1594 _publ_section_title ; Li Mo P2 O7 _cod_database_code 1001767 ; _database_code_amcsd 0010308 _chemical_formula_sum 'Mo P2 Li O7' _cell_length_a 4.8984 _cell_length_b 8.3919 _cell_length_c 7.034 _cell_angle_alpha 90 _cell_angle_beta 109.33 _cell_angle_gamma 90 _cell_volume 272.846 _exptl_crystal_density_diffrn 3.370 _symmetry_space_group_name_H-M 'P 1 21 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,1/2+y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Mo1 0.21270 0.50000 0.22578 P1 0.40300 0.18060 0.02890 P2 0.79370 0.28510 0.41940 Li1 0.79700 0.36400 0.82100 O1 0.05390 0.32000 0.36080 O2 0.39850 0.68220 0.09630 O3 0.13280 0.70070 0.38070 O4 0.61720 0.43310 0.42260 O5 0.24030 0.33760 0.00690 O6 0.59670 0.15930 0.26070 O7 0.79750 0.53750 0.00770 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Mo1 0.00470 0.00340 0.00510 -0.00030 0.00230 -0.00050 P1 0.00580 0.00470 0.00530 -0.00050 0.00220 -0.00130 P2 0.00600 0.00600 0.00530 -0.00010 0.00150 0.00080 O1 0.00800 0.01100 0.02000 -0.00100 0.00900 0.00500 O2 0.01400 0.00700 0.01100 0.00100 0.00800 0.00200 O3 0.01100 0.01000 0.00500 0.00200 0.00200 -0.00100 O4 0.00700 0.00900 0.01500 0.00200 -0.00100 -0.00300 O5 0.00800 0.00500 0.00900 0.00200 0.00300 -0.00200 O6 0.01300 0.00700 0.00800 -0.00300 0.00200 -0.00300 O7 0.00800 0.00600 0.00900 0.00200 0.00100 0.00000