#------------------------------------------------------------------------------ #$Date: 2018-01-15 01:43:56 +0200 (Mon, 15 Jan 2018) $ #$Revision: 205208 $ #$URL: file:///home/coder/svn-repositories/cod/cif/5/91/01/5910178.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_5910178 loop_ _publ_author_name 'Wyckoff, R. W. G.' _publ_section_title ; Pages 46 & 47 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 ; _journal_name_full 'The Structure of Crystals' _journal_page_first 46 _journal_page_last 47 _journal_volume 3 _journal_year 1951 _chemical_formula_structural BaCrO4 _chemical_formula_sum 'Ba Cr O4' _space_group_crystal_system orthorhombic _space_group_IT_number 62 _space_group_name_Hall '-P 2ac 2n' _space_group_name_H-M_alt 'P n m a' _audit_creation_date 2006-02-07 _audit_creation_method ; Pages 46 & 47 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 ; _audit_update_record 'created by Girish Upreti, Portland State University' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 9.103 _cell_length_b 5.526 _cell_length_c 7.337 _cell_volume 369.074 _cod_database_code 5910178 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 x+1/2,-y+1/2,-z+1/2 3 -x,y+1/2,-z 4 -x+1/2,-y,z+1/2 5 -x,-y,-z 6 -x+1/2,y+1/2,z+1/2 7 x,-y+1/2,z 8 x+1/2,y,-z+1/2 loop_ _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_label 0.18440 0.25000 0.15870 Ba1 0.06400 0.25000 0.69000 Cr1 -0.09200 0.25000 0.61200 O1 0.18700 0.25000 0.54300 O2 0.07900 0.03400 0.81300 O3