data_global _amcsd_formula_title 'Bi26 Mo6.14 O68 V3.86' loop_ _publ_author_name 'Vannier R' 'Mairesse G' 'Abraham F' 'Nowogorocki G' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 122 _journal_year 1996 _journal_page_first 394 _journal_page_last 406 _publ_section_title ; Bi26Mo10Od solid solution type in the Bi2O3 - MoO3 - V2O5 ternary diagram _cod_database_code 1004118 ; _database_code_amcsd 0013882 _chemical_formula_sum 'Bi13 (Mo3.07 V1.93) O34' _cell_length_a 11.633 _cell_length_b 5.795 _cell_length_c 24.39 _cell_angle_alpha 90 _cell_angle_beta 101.35 _cell_angle_gamma 90 _cell_volume 1612.053 _exptl_crystal_density_diffrn 7.527 _symmetry_space_group_name_H-M 'P 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,-y,1/2+z' '-x,y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi1 0.03800 0.41280 0.32736 1.00000 Bi2 0.15857 0.91010 0.24508 1.00000 Bi3 0.23743 0.00470 0.40059 1.00000 Bi4 0.35916 0.49600 0.32079 1.00000 Bi5 0.27319 0.49620 0.15770 1.00000 Bi6 0.08283 0.00090 0.08970 1.00000 Bi7 0.51000 0.50200 0.00760 0.50000 Mo1 0.42720 -0.00760 0.07940 0.58000 V1 0.42720 -0.00760 0.07940 0.42000 Mo2 0.83090 0.51310 0.01260 0.68000 V2 0.83090 0.51310 0.01260 0.32000 Mo3 0.50000 0.00700 0.25000 0.55000 V3 0.50000 0.00700 0.25000 0.45000 O1 0.00000 0.71900 0.25000 1.00000 O2 0.14000 0.25300 0.15210 1.00000 O3 0.13600 0.74400 0.15210 1.00000 O4 0.23700 0.76300 0.33590 1.00000 O5 0.25400 0.58100 0.24200 1.00000 O6 0.05900 0.05400 0.36700 1.00000 O7 0.00000 0.23200 0.25000 1.00000 O8 0.22900 0.26400 0.33520 1.00000 O9 0.49600 0.72700 0.07900 1.00000 O10 0.37900 0.06700 0.01100 1.00000 O11 0.31200 -0.01200 0.10800 1.00000 O12 0.52700 0.19500 0.09700 1.00000 O13 0.91900 0.28700 0.03200 1.00000 O14 0.80300 0.54400 -0.05600 1.00000 O15 0.89400 0.75400 0.04800 1.00000 O16 0.70000 0.45200 0.03800 1.00000 O17 0.37800 0.16800 0.24600 1.00000 O18 0.48300 0.83000 0.19900 1.00000 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 Bi1 0.01450 0.00990 0.00890 0.00070 0.00110 -0.00110 Bi2 0.01370 0.00990 0.01530 -0.00010 0.00270 -0.00060 Bi3 0.01990 0.01480 0.01170 0.00250 -0.00260 -0.00090 Bi4 0.01090 0.01440 0.01890 0.00000 -0.00080 -0.00450 Bi5 0.01200 0.01800 0.02140 0.00250 0.00550 0.00550 Bi6 0.01980 0.01470 0.00990 -0.00330 0.00410 -0.00080 Bi7 0.04300 0.03700 0.01700 -0.00200 0.00400 -0.00800 Mo1 0.01400 0.02500 0.02100 0.00000 0.00500 -0.00400 V1 0.01400 0.02500 0.02100 0.00000 0.00500 -0.00400 Mo2 0.02500 0.01500 0.00700 0.00100 0.00200 0.00100 V2 0.02500 0.01500 0.00700 0.00100 0.00200 0.00100 Mo3 0.01400 0.01500 0.04300 0.00000 0.00900 0.00000 V3 0.01400 0.01500 0.04300 0.00000 0.00900 0.00000