#------------------------------------------------------------------------------ #$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176465 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/01/57/9015767.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided the American Mineralogist Crystal Structure Database, # http://rruff.geo.arizona.edu/AMS/amcsd.php # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_9015767 loop_ _publ_author_name 'Vettier, C.' 'Yelon, W. B.' _publ_section_title ; The structure of FeCl2 at high pressures Note: P = 5.97 kbar ; _journal_name_full 'Journal of Physics and Chemistry of Solids' _journal_page_first 401 _journal_page_last 405 _journal_paper_doi 10.1016/0022-3697(75)90065-7 _journal_volume 36 _journal_year 1975 _chemical_formula_sum 'Cl2 Fe' _chemical_name_mineral Lawrencite _space_group_IT_number 164 _symmetry_space_group_name_Hall '-P 3 2"' _symmetry_space_group_name_H-M 'P -3 m 1' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 3.585 _cell_length_b 3.585 _cell_length_c 5.735 _cell_volume 63.833 _database_code_amcsd 0018601 _exptl_crystal_density_diffrn 3.297 _cod_original_formula_sum 'Fe Cl2' _cod_database_code 9015767 loop_ _space_group_symop_operation_xyz x,y,z -y,-x,z y,-x+y,-z -x,-x+y,-z -x+y,-x,z -x+y,y,z -x,-y,-z y,x,-z -y,x-y,z x,x-y,z x-y,x,-z x-y,-y,-z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Fe 0.00000 0.00000 0.00000 0.01646 Cl 0.33333 0.66667 0.23900 0.01393