data_global _amcsd_formula_title 'P4W12O44' 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 1001335 ; _database_code_amcsd 0013572 _chemical_formula_sum 'W3 P O11' _cell_length_a 5.2927 _cell_length_b 6.5604 _cell_length_c 23.549 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 817.674 _exptl_crystal_density_diffrn 6.162 _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 0.24390 0.58394 -0.03053 W2 0.25950 0.76049 -0.40333 W3 0.24460 0.92212 -0.15928 P1 0.26820 0.11720 -0.29520 O1 0.74800 0.25800 -0.40210 O2 0.74200 0.08600 -0.03420 O3 0.73900 0.42600 -0.16690 O4 0.52200 0.06800 -0.13840 O5 0.02200 0.10700 -0.12970 O6 0.22100 0.05300 -0.23380 O7 -0.04100 0.43900 -0.06180 O8 -0.02600 0.27300 -0.50390 O9 0.05400 0.26100 -0.31120 O10 0.52500 0.21900 -0.30230 O11 0.46100 0.39700 -0.07100 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 0.00600 0.00550 0.00530 0.00030 0.00010 0.00030 W2 0.00500 0.00440 0.00590 -0.00030 -0.00010 -0.00050 W3 0.00420 0.00400 0.00490 -0.00040 -0.00010 0.00000