data_global _amcsd_formula_title 'Nb9 O25 P' loop_ _publ_author_name 'Benabbas A' 'Borel M' 'Grandin A' 'Leclaire A' 'Raveau B' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 47 _journal_year 1991 _journal_page_first 849 _journal_page_last 850 _publ_section_title ; Redetermination of the structure of PNb9O25 _cod_database_code 1001529 ; _database_code_amcsd 0010248 _chemical_formula_sum 'Nb9 P O25' _cell_length_a 15.639 _cell_length_b 15.639 _cell_length_c 3.8317 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 937.151 _exptl_crystal_density_diffrn 4.490 _symmetry_space_group_name_H-M 'I 4/m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' 'y,-x,-z' '1/2+y,1/2-x,1/2-z' '-y,x,z' '1/2-y,1/2+x,1/2+z' 'x,y,-z' '1/2+x,1/2+y,1/2-z' '-x,-y,z' '1/2-x,1/2-y,1/2+z' '-y,x,-z' '1/2-y,1/2+x,1/2-z' 'y,-x,z' '1/2+y,1/2-x,1/2+z' '-x,-y,-z' '1/2-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 Nb1 0.00000 0.00000 0.04300 0.50000 Nb2 0.10860 0.21780 0.00000 1.00000 Nb3 0.32910 0.11580 0.00000 1.00000 P1 0.50000 0.00000 0.25000 0.50000 O1 0.04610 0.11500 0.00000 1.00000 O2 0.22040 0.17330 0.00000 1.00000 O3 0.15570 0.35530 0.00000 1.00000 O4 0.28520 0.01120 0.00000 1.00000 O5 0.44910 0.06850 0.00000 1.00000 O6 0.38720 0.24690 0.00000 1.00000 O7 0.00000 0.00000 0.50000 1.00000