#------------------------------------------------------------------------------ #$Date: 2015-10-20 18:58:48 +0300 (Tue, 20 Oct 2015) $ #$Revision: 169285 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/54/01/1540104.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_1540104 loop_ _publ_author_name 'Holz, K.' 'Mattes, R.' _publ_section_title ; Verbindungen des Antimon(III) mit SbFnOm-Koordinationssphaere. Kristallstrukturen von K(SbF2)HAsO4, NH4(SbF2)HAsO4 und Sb3O2F5 ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 133 _journal_page_last 142 _journal_volume 578 _journal_year 1989 _chemical_formula_sum 'As F2 H K O4 Sb' _chemical_name_systematic 'K (Sb F2) (H As O4)' _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90 _cell_angle_beta 101.1 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 7.265 _cell_length_b 7.261 _cell_length_c 11.073 _cell_volume 573.186 _citation_journal_id_ASTM ZAACAB _cod_data_source_file Holz_ZAACAB_1989_1920.cif _cod_data_source_block H1As1F2K1O4Sb1 _cod_original_cell_volume 573.1865 _cod_chemical_formula_sum_orig 'H1 As1 F2 K1 O4 Sb1' _cod_database_code 1540104 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y+1/2,-z+1/2 -x,-y,-z x,-y-1/2,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 O2 O-2 0.714 0.0898 0.7146 1 0.0 As1 As+5 0.3341 0.0613 0.1757 1 0.0 O1 O-2 0.2239 0.2407 0.6951 1 0.0 F2 F-1 0.0512 0.1852 0.4067 1 0.0 F1 F-1 0.4025 0.2446 0.9327 1 0.0 O3 O-2 0.5688 0.0883 0.1984 1 0.0 Sb1 Sb+3 0.186 0.0967 0.8569 1 0.0 O4 O-2 0.7616 0.0278 0.9613 1 0.0 K1 K+1 0.7381 0.0758 0.4662 1 0.0