data_global _amcsd_formula_title 'Bi0.4Fe3P3O13' loop_ _publ_author_name 'Benabad A' 'Bakhous K' 'Cherkaoui F' 'Holt E' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 56 _journal_year 2000 _journal_page_first 1292 _journal_page_last 1293 _publ_section_title ; Bismuth(V) iron(III) tris(phosphate) oxide _cod_database_code 1100910 ; _database_code_amcsd 0018276 _chemical_formula_sum 'Bi.4 Fe3 O13 P3' _cell_length_a 7.4960 _cell_length_b 6.3080 _cell_length_c 10.125 _cell_angle_alpha 90.00 _cell_angle_beta 100.110 _cell_angle_gamma 90.00 _cell_volume 471.324 _exptl_crystal_density_diffrn 3.890 _symmetry_space_group_name_H-M 'P 21/m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Bi1 0.65910 0.25000 0.19371 0.40000 0.01140 Fe1 0.00000 0.00000 0.00000 1.00000 0.00700 Fe2 0.64960 0.25000 -0.20185 1.00000 0.00600 Fe3 0.21430 0.25000 -0.43654 1.00000 0.00810 O1 0.87620 0.25000 -0.09280 1.00000 0.00880 P1 0.78340 0.25000 0.51160 1.00000 0.00720 O11 0.97490 0.25000 0.59010 1.00000 0.01200 O12 0.65110 0.25000 0.60760 1.00000 0.01290 O13 0.75120 0.06080 0.41540 1.00000 0.01130 P2 0.31730 0.25000 -0.11290 1.00000 0.00610 O21 0.35850 0.25000 -0.25630 1.00000 0.00600 O22 0.50780 0.25000 -0.03100 1.00000 0.00910 O23 0.21090 0.04860 -0.09360 1.00000 0.00880 P3 0.26340 0.25000 0.23940 1.00000 0.00640 O31 0.21500 0.25000 0.37440 1.00000 0.01610 O32 0.08290 0.25000 0.13430 1.00000 0.00830 O33 0.37970 0.43740 0.21290 1.00000 0.00930 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 0.01180 0.01060 0.01210 0.00000 0.00330 0.00000 Fe1 0.00780 0.00380 0.00980 -0.00150 0.00300 -0.00020 Fe2 0.00510 0.00520 0.00780 0.00000 0.00180 0.00000 Fe3 0.01070 0.00640 0.00740 0.00000 0.00200 0.00000 O1 0.01300 0.00800 0.00300 0.00000 -0.00400 0.00000 P1 0.01090 0.00450 0.00750 0.00000 0.00510 0.00000 O11 0.00900 0.01500 0.01100 0.00000 -0.00200 0.00000 O12 0.01000 0.02100 0.00800 0.00000 0.00100 0.00000 O13 0.02000 0.00500 0.00900 0.00200 0.00300 0.00200 P2 0.00740 0.00490 0.00760 0.00000 0.00590 0.00000 O21 0.00200 0.01000 0.00600 0.00000 0.00000 0.00000 O22 0.01300 0.01100 0.00200 0.00000 -0.00100 0.00000 O23 0.01100 0.00600 0.01100 0.00200 0.00400 0.00200 P3 0.00910 0.00390 0.00640 0.00000 0.00230 0.00000 O31 0.02200 0.02000 0.00800 0.00000 0.00600 0.00000 O32 0.02200 0.02000 0.00700 0.00000 0.00600 0.00000 O33 0.01000 0.00500 0.01300 0.00000 0.00300 0.00100