#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/34/37/4343712.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_4343712 loop_ _publ_author_name 'Grdenic, D.' 'Sikirica, M.' _publ_section_title ; Crystal structure of mercury(II) hydroxide fluoride ; _journal_name_full 'Inorganic Chemistry' _journal_page_first 544 _journal_page_last 546 _journal_volume 12 _journal_year 1973 _chemical_formula_sum 'F H Hg O' _chemical_name_systematic 'Hg (O H) F' _space_group_IT_number 19 _symmetry_space_group_name_Hall 'P 2ac 2ab' _symmetry_space_group_name_H-M 'P 21 21 21' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 4.963 _cell_length_b 5.92 _cell_length_c 6.857 _cell_volume 201.465 _citation_journal_id_ASTM INOCAJ _cod_data_source_file Grdenic_INOCAJ_1973_1190.cif _cod_data_source_block H1F1Hg1O1 _cod_original_cell_volume 201.4652 _cod_original_formula_sum 'H1 F1 Hg1 O1' _cod_database_code 4343712 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y,z+1/2 x+1/2,-y+1/2,-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 F1 F-1 0.418 0.151 0.637 1 0.0 Hg1 Hg+2 0.2611 0.5094 0.6136 1 0.0 O1 O-2 0.547 0.104 0.139 1 0.0