#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/01/04/1010470.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_1010470 loop_ _publ_author_name 'Braekken, H' _publ_section_title ; Zur Kristallstruktur des Quecksilberbromids Hg Br~2~ ; _journal_coden_ASTM ZEKGAX _journal_name_full ; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) ; _journal_page_first 152 _journal_page_last 154 _journal_volume 81 _journal_year 1932 _chemical_formula_structural 'Hg Br2' _chemical_formula_sum 'Br2 Hg' _chemical_name_systematic 'Mercury bromide' _space_group_IT_number 36 _symmetry_cell_setting orthorhombic _symmetry_Int_Tables_number 36 _symmetry_space_group_name_Hall 'C 2c -2' _symmetry_space_group_name_H-M 'C m c 21' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 4.624(1) _cell_length_b 6.789(1) _cell_length_c 12.445(1) _cell_volume 390.7 _cod_database_code 1010470 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y,z -x,-y,1/2+z x,-y,1/2+z 1/2+x,1/2+y,z 1/2-x,1/2+y,z 1/2-x,1/2-y,1/2+z 1/2+x,1/2-y,1/2+z loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag Hg1 Hg2+ 4 a 0. 0.333(7) 0. 1. 0 d Br1 Br1- 4 a 0. 0.061(10) 0.134(5) 1. 0 d Br2 Br1- 4 a 0. 0.395(10) 0.366(5) 1. 0 d loop_ _atom_type_symbol _atom_type_oxidation_number Hg2+ 2.000 Br1- -1.000