#------------------------------------------------------------------------------ #$Date: 2016-03-02 09:51:31 +0200 (Wed, 02 Mar 2016) $ #$Revision: 177123 $ #$URL: file:///home/coder/svn-repositories/cod/cif/5/91/01/5910131.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_5910131 loop_ _publ_author_name 'Wyckoff, R. W. G.' _publ_section_title ; Pages 285 & 290 from the second edition of Structure of Crystals by Wyckoff. published by The Chemical Catalog Company, INC, New York in 1931 ; _journal_name_full 'The second edition of Structure of Crystals' _journal_page_first 285 _journal_page_last 290 _journal_year 1931 _chemical_formula_structural SrMoO4 _chemical_formula_sum 'Mo O4 Sr' _chemical_name_systematic SrMoO4 _space_group_IT_number 88 _symmetry_cell_setting tetragonal _symmetry_Int_Tables_number 88 _symmetry_space_group_name_Hall '-I 4ad' _symmetry_space_group_name_H-M 'I 41/a :2' _audit_creation_date 2005-06-11 _audit_creation_method ; Pages 285 & 290 from the second edition of Structure of Crystals by Wyckoff. published by The Chemical Catalog Company, INC, New York in 1931 ; _audit_update_record 'created by Girish Upreti, Portland State University' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 5.36 _cell_length_b 5.36 _cell_length_c 11.94 _cell_volume 343.031 _cod_original_sg_symbol_H-M 'I 41/a' _cod_original_formula_sum 'Sr Mo O4' _cod_database_code 5910131 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y+1/4,x+3/4,z+3/4 y+1/4,-x+1/4,z+1/4 -x,-y+1/2,z -x,-y,-z y+3/4,-x+1/4,-z+1/4 -y+3/4,x+3/4,-z+3/4 x,y+1/2,-z x+1/2,y+1/2,z+1/2 -y+3/4,x+1/4,z+1/4 y+3/4,-x+3/4,z+3/4 -x+1/2,-y,z+1/2 -x+1/2,-y+1/2,-z+1/2 y+1/4,-x+3/4,-z+3/4 -y+1/4,x+1/4,-z+1/4 x+1/2,y,-z+1/2 loop_ _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_label 0.00000 0.00000 0.50000 Sr 0.00000 0.00000 0.00000 Mo 0.24150 0.15040 0.08610 O