#------------------------------------------------------------------------------ #$Date: 2015-10-09 21:35:36 +0300 (Fri, 09 Oct 2015) $ #$Revision: 162813 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/54/1535430.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_1535430 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 'Br1.85 I0.15 Sr' _chemical_name_systematic 'Sr Br1.85 I.15' _space_group_IT_number 85 _symmetry_space_group_name_Hall '-P 4a' _symmetry_space_group_name_H-M 'P 4/n :2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 10 _cell_length_a 11.706 _cell_length_b 11.706 _cell_length_c 7.18 _cell_volume 983.879 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Hodorowicz_JSSCBI_1983_142.cif _cod_data_source_block Br1.85I0.15Sr1 _cod_original_cell_volume 983.8785 _cod_chemical_formula_sum_orig 'Br1.85 I0.15 Sr1' _cod_database_code 1535430 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y+1/2,x,z -x+1/2,-y+1/2,z y,-x+1/2,z -x,-y,-z y-1/2,-x,-z x-1/2,y-1/2,-z -y,x-1/2,-z 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 Br1 Br-1 0.1531 0.459 0.6253 0.906 0.0 Br4 Br-1 0.25 0.75 0.5 1 0.0 Br2 Br-1 0.3388 0.4572 0.0963 0.906 0.0 Sr1 Sr+2 0.1045 0.5856 0.2476 1 0.0 I1 I-1 0.1531 0.459 0.6253 0.094 0.0 I2 I-1 0.3388 0.4572 0.0963 0.094 0.0 Br3 Br-1 0.25 0.75 0 1 0.0 Sr2 Sr+2 0.25 0.25 0.7483 1 0.0