data_global _amcsd_formula_title 'P4W16O56' loop_ _publ_author_name 'Labbe P' 'Goreaud M' 'Raveau B' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 61 _journal_year 1986 _journal_page_first 324 _journal_page_last 331 _publ_section_title ; Monophosphate tungsten bronzes with pentagonal tunnels (PO2)4(WO3)2m: Structure of two even-m members P4W12O44 (m=6) and P4W16O56 (m=8) _cod_database_code 1001336 ; _database_code_amcsd 0013573 _chemical_formula_sum 'W4 P O14' _cell_length_a 5.2943 _cell_length_b 6.5534 _cell_length_c 29.700 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1030.461 _exptl_crystal_density_diffrn 6.384 _symmetry_space_group_name_H-M 'P 21 21 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,1/2+y,1/2-z' '1/2+x,1/2-y,-z' '1/2-x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z W1 0.25670 0.41190 0.02580 W2 0.26010 0.06960 0.12794 W3 0.75310 0.74400 0.07507 W4 0.75480 0.40970 0.17830 P1 0.73400 0.21630 0.28660 O1 0.25600 0.24500 0.07970 O2 0.24000 0.07500 0.37080 O3 0.24100 0.42000 0.47360 O4 0.76700 0.28000 0.23780 O5 0.75400 0.40900 0.31530 O6 0.04200 0.22500 -0.00380 O7 0.48000 0.26400 0.16160 O8 -0.05200 0.07400 0.29950 O9 0.45600 0.44000 0.39090 O10 0.03000 0.05600 0.45190 O11 -0.02600 0.22200 0.15480 O12 0.47100 0.11800 0.29140 O13 -0.04100 0.38600 0.39790 O14 0.53600 0.10800 0.44420 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 0.01060 0.00880 0.00670 0.00070 -0.00050 0.00240 W2 0.00710 0.00600 0.00620 0.00180 0.00000 0.00170 W3 0.00970 0.00800 0.00630 0.00080 0.00000 0.00240 W4 0.00570 0.00470 0.00380 0.00040 0.00010 0.00040