data_global _amcsd_formula_title 'O5 Pb0.304 V2' loop_ _publ_author_name 'Mentre O' 'Huve M' 'Abraham F' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 145 _journal_year 1999 _journal_page_first 186 _journal_page_last 196 _publ_section_title ; Bidimensional cationic ordering and thermal dependence in beta- Pb(x)V2O5 bronzes _cod_database_code 1004148 ; _database_code_amcsd 0013976 _chemical_formula_sum 'Pb.608 V4 O10' _cell_length_a 15.478 _cell_length_b 7.288 _cell_length_c 10.123 _cell_angle_alpha 90 _cell_angle_beta 109.29 _cell_angle_gamma 90 _cell_volume 1077.803 _exptl_crystal_density_diffrn 4.527 _symmetry_space_group_name_H-M 'P 1 21/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-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 Pb1 0.50400 0.00320 0.39480 0.46600 Pb2 0.00453 0.75000 0.39440 0.89200 V1 0.83140 0.50120 0.09640 1.00000 V2 0.33910 0.75000 0.10080 1.00000 V3 0.33810 0.25000 0.09840 1.00000 V4 0.61150 0.49920 0.11120 1.00000 V5 0.12130 0.75000 0.11550 1.00000 V6 0.12590 0.25000 0.12600 1.00000 V7 0.78000 0.50170 0.40360 1.00000 V8 0.28740 0.75000 0.41120 1.00000 V9 0.29060 0.25000 0.41440 1.00000 O1 -0.00020 0.25000 -0.00500 1.00000 O2 0.50000 0.00000 0.00000 1.00000 O3 0.31500 0.00100 0.05400 1.00000 O4 0.80700 0.75000 0.04600 1.00000 O5 0.81500 0.25000 0.04500 1.00000 O6 0.13000 0.00300 0.07500 1.00000 O7 0.63700 0.75000 0.08000 1.00000 O8 0.63700 0.25000 0.07900 1.00000 O9 0.93900 -0.01000 0.21700 1.00000 O10 0.43200 0.75000 0.21500 1.00000 O11 0.43000 0.25000 0.21500 1.00000 O12 0.76000 0.00300 0.22200 1.00000 O13 0.26700 0.75000 0.22100 1.00000 O14 0.26400 0.25000 0.22200 1.00000 O15 0.61400 0.00300 0.27800 1.00000 O16 0.10800 0.75000 0.26900 1.00000 O17 0.10100 0.25000 0.26500 1.00000 O18 0.25100 0.00000 0.42300 1.00000 O19 0.75600 0.75000 0.42100 1.00000 O20 0.76600 0.25000 0.43100 1.00000 O21 0.89200 0.01400 0.46800 1.00000 O22 0.39500 0.75000 0.47100 1.00000 O23 0.39700 0.25000 0.47200 1.00000