#------------------------------------------------------------------------------ #$Date: 2015-09-08 22:37:46 +0300 (Tue, 08 Sep 2015) $ #$Revision: 155315 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/02/1530247.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_1530247 loop_ _publ_author_name 'Lasocha, W.' 'Eick, H.A.' _publ_section_title ; Rietveld refinement of the structure of Sr.3 Ba.7 F Cl ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 90 _journal_page_last 95 _journal_volume 77 _journal_year 1988 _chemical_formula_sum 'Ba0.7 Cl F Sr0.3' _chemical_name_systematic 'Sr0.3 Ba0.7 F Cl' _space_group_IT_number 13 _symmetry_space_group_name_Hall '-P 2ab' _symmetry_space_group_name_H-M 'P 1 1 2/n' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90.379 _cell_formula_units_Z 2 _cell_length_a 4.335 _cell_length_b 4.304 _cell_length_c 7.146 _cell_volume 133.326 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Lasocha_JSSCBI_1988_1676.cif _cod_data_source_block Ba0.7Cl1F1Sr0.3 _cod_cif_authors_sg_Hall '-P 2yc (z,x-z,y)' _cod_chemical_formula_sum_orig 'Ba0.7 Cl1 F1 Sr0.3' _cod_database_code 1530247 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y+1/2,z -x,-y,-z x-1/2,y-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 Cl1 Cl-1 0.25 0.25 0.649 1 0.0 Ba1 Ba+2 0.25 0.25 0.204 0.7 0.0 F1 F-1 0.75 0.25 -0.039 1 0.0 Sr1 Sr+2 0.25 0.25 0.204 0.3 0.0