#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/73/1527315.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_1527315 loop_ _publ_author_name 'Dunken, H.' 'Haase, W.' 'Sch\"ounherr, F.' _publ_section_title ; Kristallstrukturuntersuchungen an Fluorverbindungen der V. Hauptgruppe; zur Kristallstruktur von Kaliummonohydroxopentafluoroarsenat ; _journal_issue 11 _journal_name_full 'Zeitschrift f\"ur Chemie' _journal_page_first 442 _journal_page_last 443 _journal_paper_doi 10.1002/zfch.19670071130 _journal_volume 7 _journal_year 1967 _chemical_formula_sum 'As K' _chemical_name_systematic 'K As O H F5' _space_group_IT_number 60 _symmetry_space_group_name_Hall '-P 2n 2ab' _symmetry_space_group_name_H-M 'P b c n' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 24 _cell_length_a 28.3 _cell_length_b 11.39 _cell_length_c 9.51 _cell_volume 3065.425 _citation_journal_id_ASTM ZECEAL _cod_data_source_file Dunken_ZECEAL_1967_1584.cif _cod_data_source_block As1K1 _cod_original_formula_sum 'As1 K1' _cod_database_code 1527315 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y+1/2,z+1/2 x+1/2,-y+1/2,-z -x,y,-z+1/2 -x,-y,-z x-1/2,y-1/2,-z-1/2 -x-1/2,y-1/2,z x,-y,z-1/2 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv As2 As+5 0.25 0.103 0.408 1 0.0 As3 As+5 0.417 0.103 0.092 1 0.0 K2 K+1 0.334 0.16 0.75 1 0.0 K1 K+1 0.166 0.16 0.75 1 0.0 K4 K+1 0 0.34 0.25 1 0.0 As1 As+5 0.083 0.103 0.092 1 0.0 K3 K+1 0 0.84 0.25 1 0.0