data_global _amcsd_formula_title 'Na1.7 O50 P4 W14' loop_ _publ_author_name 'Lamire M' 'Labbe P' 'Goreaud M' 'Raveau B' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 66 _journal_year 1987 _journal_page_first 64 _journal_page_last 72 _publ_section_title ; Na(x) P4 W14 O50: The sodium m=7 member of the monophosphate tungsten bronze series A(x)(P O2)4 (W O3)2m _cod_database_code 1001627 ; _database_code_amcsd 0013590 _chemical_formula_sum 'W7 P2 O25 Na.85' _cell_length_a 6.575 _cell_length_b 5.304 _cell_length_c 27.07599 _cell_angle_alpha 89.62 _cell_angle_beta 96.17 _cell_angle_gamma 90.26 _cell_volume 938.745 _exptl_crystal_density_diffrn 6.256 _symmetry_space_group_name_H-M 'A -1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2+y,1/2+z' '-x,-y,-z' '-x,1/2-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy W1 0.00000 0.00000 0.00000 1.00000 W2 0.69794 0.49951 0.05447 1.00000 W3 0.39771 0.99115 0.11145 1.00000 W4 0.08628 0.49454 0.16763 1.00000 P1 0.20460 0.52270 0.29191 1.00000 O1 0.19200 -0.00600 0.05970 1.00000 O2 0.50000 0.50000 0.00000 1.00000 O3 0.82250 0.78650 0.03270 1.00000 O4 0.86540 0.28100 0.02370 1.00000 O5 0.52090 0.70850 0.09270 1.00000 O6 0.56390 0.21170 0.08340 1.00000 O7 0.90100 0.49500 0.11390 1.00000 O8 0.22040 0.77740 0.15230 1.00000 O9 0.26540 0.27750 0.14590 1.00000 O10 0.58500 0.00000 0.17790 1.00000 O11 0.25000 0.49000 0.23800 1.00000 O12 0.12080 0.79200 0.29650 1.00000 O13 0.05500 0.31600 0.30420 1.00000 Na1 0.33000 0.01200 0.23680 0.42500 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 W1 0.00400 0.00430 0.00407 -0.00014 0.00097 0.00040 W2 0.00361 0.00384 0.00346 -0.00008 0.00066 0.00016 W3 0.00340 0.00389 0.00318 0.00016 0.00042 0.00012 W4 0.00375 0.00387 0.00265 0.00005 0.00071 0.00007