data_global _amcsd_formula_title 'Ba3 H16 O26 P6' loop_ _publ_author_name 'Rzaigui M' 'Averbuch-Pouchot M' 'Durif A' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 48 _journal_year 1992 _journal_page_first 241 _journal_page_last 243 _publ_section_title ; Crystal chemistry of cyclo-hexaphosphates. XIX. Structure of barium cyclo-hexaphosphate octahydrate _cod_database_code 1007199 ; _database_code_amcsd 0010270 _chemical_formula_sum 'Ba3 P6 O26' _cell_length_a 20.98 _cell_length_b 7.227 _cell_length_c 17.44 _cell_angle_alpha 90 _cell_angle_beta 119.56 _cell_angle_gamma 90 _cell_volume 2300.113 _exptl_crystal_density_diffrn 2.928 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ba1 0.29249 0.89119 0.71863 Ba2 0.00000 0.26714 0.75000 P1 0.12812 0.88480 0.78330 P2 0.46599 0.82790 0.37010 P3 0.37650 0.15030 0.58280 O1 0.37330 0.33940 0.62860 O2 0.31300 0.27960 0.72220 O3 0.37430 0.59110 0.72220 O4 0.44310 -0.01670 0.83430 O5 0.43510 0.25650 0.92220 O6 0.44720 0.81270 0.07250 O7 0.38730 0.00680 0.14250 O8 0.31380 0.15090 0.49080 O9 0.45130 0.31010 0.79030 O10 0.19790 0.59140 0.63660 O11 0.22060 0.10190 0.02650 O12 0.16580 0.86700 0.13430 O13 0.44320 0.36100 0.07670