data_global _amcsd_formula_title 'KAs4O6Br' loop_ _publ_author_name 'Pertlik F' _journal_name_full 'Monatshefte fur Chemie' _journal_volume 119 _journal_year 1988 _journal_page_first 451 _journal_page_last 456 _publ_section_title ; The compounds KAs4O6X (X=Cl,Br,I) and NH4As4O6X (X=Br,I): Hydrothermal syntheses and structure determinations ; _database_code_amcsd 0019950 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'K As4 O6 Br' _cell_length_a 5.257 _cell_length_b 5.257 _cell_length_c 8.955 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 214.325 _exptl_crystal_density_diffrn 3.988 _symmetry_space_group_name_H-M 'P 6 2 2' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,x-y,-z' 'x-y,x,z' 'y,x,-z' '-y,x-y,z' '-x+y,y,-z' '-x,-y,z' '-x,-x+y,-z' '-x+y,-x,z' '-y,-x,-z' 'y,-x+y,z' 'x-y,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z KM 0.00000 0.00000 0.50000 As 0.33333 0.66667 0.20796 O 0.50000 0.00000 0.31710 BrX 0.00000 0.00000 0.00000 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 KM 0.02930 0.02930 0.02890 0.01465 0.00000 0.00000 As 0.00960 0.00960 0.01590 0.00490 0.00000 0.00000 O 0.01570 0.00790 0.02090 0.00210 0.00000 0.00000 BrX 0.01960 0.01960 0.04130 0.00980 0.00000 0.00000