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 1004092 ; _database_code_amcsd 0014942 _chemical_formula_sum 'Bi P2 Na3 O8' _cell_length_a 18.71 _cell_length_b 7.18 _cell_length_c 5.429 _cell_angle_alpha 90 _cell_angle_beta 90. _cell_angle_gamma 90 _cell_volume 729.320 _exptl_crystal_density_diffrn 4.261 _symmetry_space_group_name_H-M 'P 1 n a m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,y,1/2-z' '-x,-y,1/2+z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,1/2-y,z' '1/2-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 Bi1 0.11815 0.03270 0.25000 1.00000 P1 0.29130 0.28660 0.25000 1.00000 P2 0.46210 0.70700 0.25000 1.00000 Na1 0.46090 0.16060 0.25000 1.00000 Na2 0.13650 0.52660 0.25000 1.00000 Na3 0.29930 0.80490 0.25000 1.00000 O1 0.42060 0.77090 0.02300 1.00000 O2 0.46730 0.49530 0.25000 1.00000 O3 0.53540 0.79210 0.25000 1.00000 O4 0.21010 0.24740 0.25000 1.00000 O5 0.31120 0.32300 -0.02450 0.50000 O6 0.30360 0.45640 0.10440 0.50000 O7 0.33380 0.13000 0.16190 0.50000 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 0.04120 0.02720 0.06870 0.00180 0.00000 0.00000 P1 0.02200 0.03000 0.04000 -0.00200 0.00000 0.00000 P2 0.02500 0.02800 0.03000 -0.00100 0.00000 0.00000 Na1 0.06200 0.05300 0.08100 -0.00600 0.00000 0.00000 Na2 0.06100 0.04400 0.10700 0.01900 0.00000 0.00000 Na3 0.04400 0.08400 0.07800 -0.00100 0.00000 0.00000 O1 0.06100 0.05600 0.03300 0.01400 -0.01100 0.00100 O2 0.10300 0.04200 0.07700 -0.00200 0.00000 0.00000 O3 0.04100 0.07400 0.10600 -0.03300 0.00000 0.00000 O4 0.02300 0.04700 0.08000 -0.00400 0.00000 0.00000 O5 0.06700 0.08000 0.06600 -0.02900 0.02800 0.00100 O6 0.09300 0.07900 0.09200 -0.00800 -0.00400 0.05000 O7 0.04700 0.07200 0.07500 0.01100 0.00800 -0.03400