data_global _amcsd_formula_title 'Cs(BF4)' loop_ _publ_author_name 'Clark M J R' 'Lynton H' _journal_name_full 'Canadian Journal of Chemistry' _journal_volume 47 _journal_year 1969 _journal_page_first 2579 _journal_page_last 2586 _publ_section_title ; Crystal structures of potassium, ammonium, rubidium and cesium tetrafluoroborates ; _database_code_amcsd 0012157 _chemical_formula_sum 'Cs B F4' _cell_length_a 7.647 _cell_length_b 9.675 _cell_length_c 5.885 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 435.400 _exptl_crystal_density_diffrn 3.352 _symmetry_space_group_name_H-M 'P b n m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,y,1/2-z' '-x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Cs 0.16307 0.19174 0.25000 B 0.69140 0.05171 0.25000 F1 0.62730 -0.08385 0.25000 F2 0.57230 0.14666 0.25000 F3 0.80100 0.07107 0.05772 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 Cs 0.03259 0.02973 0.04209 -0.00202 0.00160 -0.00084 B 0.00584 0.04092 0.03797 0.03066 0.02398 -0.00352 F1 0.06109 0.05292 0.09836 -0.06188 0.01589 -0.04855 F2 0.05232 0.06933 0.07660 0.01972 -0.03333 0.06383 F3 0.05223 0.04932 0.05050 -0.00195 0.02501 0.00069