#------------------------------------------------------------------------------ #$Date: 2016-03-02 09:51:31 +0200 (Wed, 02 Mar 2016) $ #$Revision: 177123 $ #$URL: file:///home/coder/svn-repositories/cod/cif/5/91/02/5910254.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_5910254 loop_ _publ_author_name 'Wyckoff, R. W. G.' _publ_section_title ; Page 72 & 74 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 72 _journal_page_last 74 _journal_volume 3 _journal_year 1951 _chemical_formula_structural Al2HgS4 _chemical_formula_sum 'Al2 Hg S4' _space_group_IT_number 82 _symmetry_cell_setting tetragonal _symmetry_Int_Tables_number 82 _symmetry_space_group_name_Hall 'I -4' _symmetry_space_group_name_H-M 'I -4' _audit_creation_date 2006-02-07 _audit_creation_method ; Page 72 & 74 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_length_a 5.488 _cell_length_b 5.488 _cell_length_c 10.26 _cell_volume 309.012 _cod_database_code 5910254 loop_ _symmetry_equiv_pos_as_xyz x,y,z y,-x,-z -y,x,-z -x,-y,z x+1/2,y+1/2,z+1/2 y+1/2,-x+1/2,-z+1/2 -y+1/2,x+1/2,-z+1/2 -x+1/2,-y+1/2,z+1/2 loop_ _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_label 0.00000 0.00000 0.00000 Hg1 0.50000 0.50000 0.50000 Hg2 0.00000 0.00000 0.50000 Al1 0.50000 0.50000 0.00000 Al2 0.00000 0.50000 0.25000 Al3 0.50000 0.00000 0.75000 Al4 0.28000 0.26000 0.13700 S1 -0.28000 -0.26000 0.13700 S2 -0.26000 0.28000 -0.13700 S3 0.26000 -0.28000 -0.13700 S4