data_global _amcsd_formula_title 'K7 Nb14.13 O60 P8.87' loop_ _publ_author_name 'Leclaire A' 'Benabbas A' 'Borel M' 'Grandin A' 'Raveau B' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 83 _journal_year 1989 _journal_page_first 245 _journal_page_last 254 _publ_section_title ; A Niobium Phosphate Bronze Closely Related to the ITB Tumgsten Bronzes: K7 Nb14+x P9-x O6$0 (x= 0.13) _cod_database_code 1001417 ; _database_code_amcsd 0013667 _chemical_formula_sum 'Nb14.136 P8.864 K7 O60' _cell_length_a 36.883 _cell_length_b 10.603 _cell_length_c 6.4526 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2523.421 _exptl_crystal_density_diffrn 3.713 _symmetry_space_group_name_H-M 'P m m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,-y,z' '-x,y,-z' '1/2-x,y,z' '1/2+x,-y,-z' '1/2+x,y,-z' '1/2-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 0.44489 0.17620 0.24290 1.00000 Nb2 0.34235 0.17750 0.25390 1.00000 Nb3 0.44584 0.50000 0.01730 1.00000 Nb4 0.25000 0.18300 0.45480 1.00000 Nb5 0.34155 0.50000 0.04380 1.00000 P1 0.67583 0.23800 0.24730 1.00000 P2 0.53909 0.23670 0.25480 1.00000 P3 0.25000 0.50000 0.27600 0.86400 Nb6 0.25000 0.50000 0.27600 0.13600 K1 0.60710 0.00000 0.25600 1.00000 K2 0.25000 0.00000 -0.04200 1.00000 K3 0.50000 0.50000 0.50000 1.00000 K4 0.38850 0.50000 0.53260 1.00000 K5 0.75000 0.50000 0.22600 1.00000 O1 0.39530 0.16030 0.23500 1.00000 O2 0.44150 0.36670 0.20500 1.00000 O3 0.55250 0.16190 0.06900 1.00000 O4 0.49830 0.22650 0.27200 1.00000 O5 0.55800 0.18170 0.44600 1.00000 O6 0.45630 0.00000 0.25500 1.00000 O7 0.34030 0.00000 0.29100 1.00000 O8 0.66120 0.16180 0.06000 1.00000 O9 0.65100 0.20410 0.43400 1.00000 O10 0.34680 0.36400 0.22400 1.00000 O11 0.28960 0.18400 0.27500 1.00000 O12 0.55140 0.37610 0.23700 1.00000 O13 0.50000 0.50000 0.00000 1.00000 O14 0.39050 0.50000 -0.03600 1.00000 O15 0.28430 0.50000 0.12400 1.00000 O16 0.67300 0.37700 0.20000 1.00000 O17 0.71480 0.19960 0.29000 1.00000 O18 0.25000 0.37900 0.42500 1.00000 O19 0.25000 0.00000 0.48600 1.00000