data_global _amcsd_formula_title 'O31 P6 Rb6 V6' loop_ _publ_author_name 'Benhamada L' 'Grandin A' 'Borel M' 'Leclaire A' 'Raveau B' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 94 _journal_year 1991 _journal_page_first 274 _journal_page_last 280 _publ_section_title ; A mixed valence vanadium phosphate with a tunnel structure: Rb6V6P6O31 _cod_database_code 1001498 ; _database_code_amcsd 0013720 _chemical_formula_sum 'Rb3 V3 P3 O15.5' _cell_length_a 7.0656 _cell_length_b 13.4988 _cell_length_c 14.4198 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1375.319 _exptl_crystal_density_diffrn 3.623 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rb1 0.09620 0.00833 0.16277 1.00000 Rb2 0.10800 0.25000 0.99396 1.00000 V1 0.14920 0.12460 0.42310 1.00000 V2 0.25980 0.75000 0.24010 1.00000 P1 0.04210 0.89990 0.38090 1.00000 P2 0.35230 0.25000 0.26030 0.50000 P3 0.26370 0.25000 0.24020 0.50000 O1 0.32350 0.06840 0.47160 1.00000 O2 0.20500 0.25000 0.45600 1.00000 O3 0.02750 0.01240 0.35860 1.00000 O4 -0.05510 0.11700 0.51380 1.00000 O5 0.26450 0.15690 0.29720 1.00000 O6 0.04500 0.75000 0.20000 1.00000 O7 0.36460 0.64770 0.15900 1.00000 O8 0.22190 0.64320 0.33640 1.00000 O9 0.39000 0.25000 0.15820 1.00000 O10 0.05800 0.25000 0.19000 0.50000