#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/54/1535466.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_1535466 loop_ _publ_author_name 'Hodorowicz, S.A.' 'Eick, H.A.' _publ_section_title ; An X-ray diffraction study of the Sr Brx I2-x system ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 313 _journal_page_last 320 _journal_volume 46 _journal_year 1983 _chemical_formula_sum 'I2 Sr' _chemical_name_systematic 'Sr I2' _space_group_IT_number 61 _symmetry_space_group_name_Hall '-P 2ac 2ab' _symmetry_space_group_name_H-M 'P b c a' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 15.268 _cell_length_b 8.251 _cell_length_c 7.896 _cell_volume 994.709 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Hodorowicz_JSSCBI_1983_153.cif _cod_data_source_block I2Sr1 _cod_original_cell_volume 994.7086 _cod_original_formula_sum 'I2 Sr1' _cod_database_code 1535466 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 -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 I1 I-1 0.202 0.1077 0.163 1 0.0 Sr1 Sr+2 0.1105 0.4505 0.2764 1 0.0 I2 I-1 -0.0341 0.2682 0.0054 1 0.0