data_global _amcsd_formula_title 'Co Cr4 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 1000462 ; _database_code_amcsd 0013512 _chemical_formula_sum 'Cs4 Cr4.001 Co.999 F18.24' _cell_length_a 7.203 _cell_length_b 7.203 _cell_length_c 10.761 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 483.515 _exptl_crystal_density_diffrn 3.932 _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 0.22510 1.00000 Cs2 0.33333 0.66667 0.37383 1.00000 Cr1 0.33333 0.66667 0.71764 1.00000 Cr2 0.50000 0.00000 0.00000 0.66700 Co1 0.50000 0.00000 0.00000 0.33300 F1 0.20494 -0.20494 0.03863 1.00000 F2 0.54091 -0.54091 0.17336 1.00000 F3 0.79331 -0.79331 0.37813 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 0.04150 0.04150 0.07410 0.02080 0.00000 0.00000 Cs2 0.06900 0.06900 0.02560 0.03450 0.00000 0.00000 Cr1 0.01570 0.01570 0.01140 0.00780 0.00000 0.00000 Cr2 0.01040 0.00750 0.01670 0.00370 -0.00210 -0.00100 Co1 0.01040 0.00750 0.01670 0.00370 -0.00210 -0.00100 F1 0.01850 0.01850 0.03320 0.00480 0.00430 -0.00430 F2 0.03370 0.03370 0.02210 0.02720 -0.00090 0.00090 F3 0.04660 0.04660 0.03030 0.03290 0.00050 -0.00050