data_global _amcsd_formula_title 'Cd Cs4 F12 Ni3' loop_ _publ_author_name 'Dance J' 'Kerkouri N' 'Soubeyroux J' 'Darriet J' 'Tressaud A' _journal_name_full 'Materials Letters' _journal_volume 1 _journal_year 1982 _journal_page_first 49 _journal_page_last 52 _publ_section_title ; Cationic substitutions in fluorides of hexagonal Perovskite type. III. The Cs Ni1-x Cdx F3 system. Crystal chemistry and trimeric magnetic interactions in Cs Ni.75 Cd.25 F3 _cod_database_code 1008268 ; _database_code_amcsd 0016190 _chemical_formula_sum 'Cd Ni3 Cs4 F12' _cell_length_a 6.21 _cell_length_b 6.21 _cell_length_c 30.0 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1001.925 _exptl_crystal_density_diffrn 5.211 _symmetry_space_group_name_H-M 'R -3 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'x,x-y,z' '2/3+x,1/3+x-y,1/3+z' '1/3+x,2/3+x-y,2/3+z' 'y,x,-z' '2/3+y,1/3+x,1/3-z' '1/3+y,2/3+x,2/3-z' '-x+y,y,z' '2/3-x+y,1/3+y,1/3+z' '1/3-x+y,2/3+y,2/3+z' '-x,-x+y,-z' '2/3-x,1/3-x+y,1/3-z' '1/3-x,2/3-x+y,2/3-z' '-y,-x,z' '2/3-y,1/3-x,1/3+z' '1/3-y,2/3-x,2/3+z' 'x-y,-y,-z' '2/3+x-y,1/3-y,1/3-z' '1/3+x-y,2/3-y,2/3-z' 'y,-x+y,-z' '2/3+y,1/3-x+y,1/3-z' '1/3+y,2/3-x+y,2/3-z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+z' '-x,-y,-z' '2/3-x,1/3-y,1/3-z' '1/3-x,2/3-y,2/3-z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' 'x-y,x,-z' '2/3+x-y,1/3+x,1/3-z' '1/3+x-y,2/3+x,2/3-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Cd1 0.00000 0.00000 0.00000 Ni1 0.00000 0.00000 0.50000 Ni2 0.00000 0.00000 0.40900 Cs1 0.00000 0.00000 0.13130 Cs2 0.00000 0.00000 0.28240 F1 0.14350 -0.14350 0.45610 F2 0.16270 -0.16270 0.62620