data_global _chemical_name_mineral 'Avogadrite' 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 0012154 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'K B F4' _cell_length_a 7.032 _cell_length_b 8.674 _cell_length_c 5.496 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 335.232 _exptl_crystal_density_diffrn 2.495 _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 K 0.16134 0.18454 0.25000 B 0.68722 0.06322 0.25000 F1 0.60250 -0.08114 0.25000 F2 0.55756 0.17860 0.25000 F3 0.80416 0.07768 0.04457 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 K 0.02535 0.01955 0.03217 0.00207 0.00331 -0.00203 B 0.03367 0.01738 0.03018 0.00389 -0.03039 -0.01768 F1 0.05584 0.02573 0.05959 0.00646 -0.00360 -0.04048 F2 0.03284 0.04341 0.03894 0.00473 0.00170 0.02290 F3 0.03384 0.03690 0.02432 0.00442 0.01641 0.00256