data_global _amcsd_formula_title 'Nb2(PO4)3' loop_ _publ_author_name 'Leclaire A' 'Borel M' 'Grandin A' 'Raveau B' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 45 _journal_year 1989 _journal_page_first 699 _journal_page_last 701 _publ_section_title ; A mixed-valence niobium phosphate with an empty nasicon structure: Nb2(PO4)3 _cod_database_code 1001855 ; _database_code_amcsd 0010075 _chemical_formula_sum 'Nb2 P3 O12' _cell_length_a 8.6974 _cell_length_b 8.6974 _cell_length_c 22.12299 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1449.283 _exptl_crystal_density_diffrn 3.236 _symmetry_space_group_name_H-M 'R -3 c' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'x,x-y,1/2+z' '2/3+x,1/3+x-y,5/6+z' '1/3+x,2/3+x-y,1/6+z' 'y,x,1/2-z' '2/3+y,1/3+x,5/6-z' '1/3+y,2/3+x,1/6-z' '-x+y,y,1/2+z' '2/3-x+y,1/3+y,5/6+z' '1/3-x+y,2/3+y,1/6+z' '-x,-x+y,1/2-z' '2/3-x,1/3-x+y,5/6-z' '1/3-x,2/3-x+y,1/6-z' '-y,-x,1/2+z' '2/3-y,1/3-x,5/6+z' '1/3-y,2/3-x,1/6+z' 'x-y,-y,1/2-z' '2/3+x-y,1/3-y,5/6-z' '1/3+x-y,2/3-y,1/6-z' 'y,-x+y,-z' '2/3+y,1/3-x+y,1/3-z' '1/3+y,2/3-x+y,2/3-z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+z' '-x,-y,-z' '2/3-x,1/3-y,1/3-z' '1/3-x,2/3-y,2/3-z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' 'x-y,x,-z' '2/3+x-y,1/3+x,1/3-z' '1/3+x-y,2/3+x,2/3-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Nb1 0.00000 0.00000 0.14131 P1 0.28210 0.00000 0.25000 O1 0.16920 -0.02890 0.19430 O2 0.20120 0.17040 0.09160