data_global _amcsd_formula_title 'K Nb3 O15 P3' loop_ _publ_author_name 'Leclaire A' 'Borel M' 'Grandin A' 'Raveau B' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 80 _journal_year 1989 _journal_page_first 12 _journal_page_last 16 _publ_section_title ; A Niobium Phosphate Bronze with a Tunnel Structure: K Nb3 P3 O15 _cod_database_code 1001407 ; _database_code_amcsd 0013651 _chemical_formula_sum 'Nb3 K P3 O15' _cell_length_a 13.3085 _cell_length_b 14.7382 _cell_length_c 6.4615 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1267.380 _exptl_crystal_density_diffrn 3.410 _symmetry_space_group_name_H-M 'P n n m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' 'x,y,-z' '-x,-y,z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb1 0.43757 0.38721 0.00000 1.00000 Nb2 0.69285 0.27711 0.00000 1.00000 Nb3 0.35872 -0.02661 0.00000 1.00000 K1 0.00860 0.32330 0.08900 0.50000 P1 0.27237 0.20218 0.00000 1.00000 P2 0.37506 0.37936 0.50000 1.00000 P3 0.20613 0.50253 0.00000 1.00000 O1 0.50000 0.50000 0.00000 1.00000 O2 0.29990 0.44450 0.00000 1.00000 O3 0.36240 0.26600 0.00000 1.00000 O4 0.56590 0.32560 0.00000 1.00000 O5 0.44180 0.38660 0.30840 1.00000 O6 0.77090 0.39660 0.00000 1.00000 O7 0.63480 0.15390 0.00000 1.00000 O8 0.83160 0.21690 0.00000 1.00000 O9 0.70460 0.27990 0.31060 1.00000 O10 0.29580 0.45330 0.50000 1.00000 O11 0.31290 0.10580 0.00000 1.00000 O12 0.14040 0.47880 0.18780 1.00000 O13 0.50000 0.00000 0.00000 1.00000