data_global _amcsd_formula_title 'Bi Na3 O8 P2' loop_ _publ_author_name 'Mairesse G' 'Drache M' 'Nowogrocki G' 'Abraham F' _journal_name_full 'Phase Transition' _journal_volume 27 _journal_year 1990 _journal_page_first 91 _journal_page_last 105 _publ_section_title ; Order-disorder transition in Na3Bi(PO4)2 _cod_database_code 1004091 ; _database_code_amcsd 0014941 _chemical_formula_sum 'Bi P2 Na3 O8' _cell_length_a 19.86 _cell_length_b 5.353 _cell_length_c 13.96 _cell_angle_alpha 90 _cell_angle_beta 110.64 _cell_angle_gamma 90 _cell_volume 1388.837 _exptl_crystal_density_diffrn 4.475 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Bi1 0.61841 0.20700 0.04345 Bi2 0.12003 0.19194 0.07593 P1 0.70820 0.77750 0.71260 P2 0.04000 0.77050 0.62220 P3 0.46170 0.23520 0.58260 P4 0.20860 0.77330 0.49650 Na1 0.80100 0.20730 0.24640 Na2 0.53540 0.75460 0.19160 Na3 0.86310 0.74520 0.16910 Na4 0.96420 0.24550 0.15510 Na5 0.30230 0.25310 0.05240 Na6 0.36100 0.74880 0.19420 O1 0.66230 0.67440 0.76930 O2 0.69550 0.05950 0.69090 O3 0.69440 0.63370 0.61180 O4 0.78970 0.73400 0.77460 O5 0.08660 0.54640 0.68430 O6 0.08070 0.01180 0.66940 O7 0.03250 0.74010 0.51040 O8 -0.03150 0.76580 0.63960 O9 0.53360 0.23390 0.67140 O10 0.41750 0.46490 0.59910 O11 0.41910 -0.00040 0.58940 O12 0.46880 0.25760 0.47810 O13 0.19870 0.63660 0.58840 O14 0.29060 0.75210 0.51640 O15 0.19120 0.05300 0.49730 O16 0.16250 0.65580 0.39650 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 0.00780 0.00950 0.00720 -0.00080 0.00240 -0.00080 Bi2 0.00700 0.00920 0.00790 -0.00080 0.00180 0.00020 P1 0.00540 0.00610 0.00730 0.00000 0.00110 0.00010 P2 0.00460 0.00580 0.00880 -0.00090 0.00220 -0.00090 P3 0.00660 0.00550 0.00760 -0.00100 0.00170 -0.00010 P4 0.00440 0.00660 0.00850 -0.00010 0.00140 0.00060 Na1 0.01200 0.01600 0.01700 0.00100 0.00500 0.00100 Na2 0.01300 0.01900 0.01300 -0.00200 0.00600 -0.00100 Na3 0.01300 0.01900 0.01400 0.00300 0.00800 0.00300 Na4 0.01200 0.01900 0.01500 -0.00400 0.00400 0.00000 Na5 0.01100 0.01800 0.01700 0.00400 0.00300 -0.00100 Na6 0.01400 0.02000 0.01000 -0.00200 0.00000 -0.00400 O1 0.01100 0.02400 0.01800 -0.00400 0.00500 0.00300 O2 0.01300 0.00800 0.01600 0.00100 -0.00300 0.00100 O3 0.01500 0.01500 0.01500 0.00000 0.00100 -0.00500 O4 0.00500 0.01500 0.01400 0.00200 0.00000 -0.00200 O5 0.01400 0.00600 0.01300 0.00200 0.00200 0.00200 O6 0.01300 0.00600 0.01400 0.00000 -0.00300 0.00000 O7 0.01800 0.01200 0.01400 0.00000 0.00400 0.00100 O8 0.00700 0.02100 0.02200 0.00200 0.00700 -0.00100 O9 0.00800 0.01900 0.01800 0.00100 -0.00300 -0.00300 O10 0.01300 0.00600 0.01000 0.00300 0.00400 0.00200 O11 0.01500 0.00700 0.02000 -0.00200 0.00900 -0.00200 O12 0.01700 0.01200 0.01800 -0.00100 0.00700 0.00300 O13 0.01900 0.01600 0.01400 -0.00400 0.00500 0.00500 O14 0.00600 0.02300 0.01500 0.00100 0.00500 -0.00400 O15 0.01500 0.00700 0.02200 0.00200 0.00600 0.00300 O16 0.00700 0.02000 0.01300 -0.00300 0.00100 -0.00700