data_global _amcsd_formula_title 'Cr5 Cs4 F18.24' loop_ _publ_author_name 'Courbion G' 'de Pape R' 'Knoke G' 'Babel D' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 49 _journal_year 1983 _journal_page_first 353 _journal_page_last 361 _publ_section_title ; Structures of cesium containing fluorides, VI:The pyrochlore-related layer structures of Cs4 Co Cr4 F18 and Cs4 Cr5 F18+x _cod_database_code 1000461 ; _database_code_amcsd 0013511 _chemical_formula_sum 'Cs4 Cr5 F18.24' _cell_length_a 7.2 _cell_length_b 7.2 _cell_length_c 10.679 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 479.431 _exptl_crystal_density_diffrn 3.942 _symmetry_space_group_name_H-M 'P -3 m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-y,-x,z' 'y,-x+y,-z' '-x,-x+y,-z' '-x+y,-x,z' '-x+y,y,z' '-x,-y,-z' 'y,x,-z' '-y,x-y,z' 'x,x-y,z' 'x-y,x,-z' 'x-y,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cs1 0.00000 0.00000 0.22765 1.00000 Cs2 0.33333 0.66667 0.37306 1.00000 Cr1 0.33333 0.66667 0.71642 1.00000 Cr2 0.50000 0.00000 0.00000 1.00000 F1 0.20391 -0.20391 0.03982 1.00000 F2 0.54121 -0.54121 0.17326 1.00000 F3 0.79060 -0.79060 0.37818 1.00000 F4 0.00000 0.00000 0.50000 0.24000 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Cs1 0.03280 0.03280 0.05740 0.01640 0.00000 0.00000 Cs2 0.05780 0.05780 0.02120 0.02890 0.00000 0.00000 Cr1 0.01700 0.01700 0.01180 0.00850 0.00000 0.00000 Cr2 0.01620 0.01000 0.01640 0.00500 -0.00050 -0.00090 F1 0.03020 0.03020 0.04420 0.00470 0.00740 -0.00740 F2 0.04450 0.04450 0.02140 0.03590 -0.00080 0.00080 F3 0.05680 0.05680 0.02680 0.04570 -0.00290 0.00290