data_global _amcsd_formula_title 'Na0.5 Nb2 O12 P3' loop_ _publ_author_name 'Leclaire A' 'Borel M' 'Grandin A' 'Raveau B' _journal_name_full 'Materials Research Bulletin' _journal_volume 26 _journal_year 1991 _journal_page_first 207 _journal_page_last 211 _publ_section_title ; A niobium phosphate with a nasicon structure: Na0.5Nb2(PO4)3 _cod_database_code 1001500 ; _database_code_amcsd 0014356 _chemical_formula_sum 'Nb2 Na.5 P3 O12' _cell_length_a 8.7362 _cell_length_b 8.7362 _cell_length_c 22.093 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1460.261 _exptl_crystal_density_diffrn 3.290 _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 _atom_site_occupancy Nb1 0.00000 0.00000 0.14377 1.00000 Na1 0.00000 0.00000 0.00000 0.50000 P1 0.28820 0.00000 0.25000 1.00000 O1 0.02020 0.20060 0.19320 1.00000 O2 0.19490 0.16960 0.08810 1.00000