#------------------------------------------------------------------------------ #$Date: 2016-03-02 09:51:31 +0200 (Wed, 02 Mar 2016) $ #$Revision: 177123 $ #$URL: file:///home/coder/svn-repositories/cod/cif/5/91/01/5910107.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_5910107 _journal_name_full 'The Crystal Structure of Solids' _journal_page_first 129 _journal_page_last 129 _chemical_formula_structural CoCo2S4 _chemical_formula_sum 'Co3 S4' _chemical_name_systematic Linnaeite _space_group_IT_number 227 _symmetry_cell_setting cubic _symmetry_Int_Tables_number 227 _symmetry_space_group_name_Hall '-F 4vw 2vw 3' _symmetry_space_group_name_H-M 'F d -3 m :2' _audit_creation_date 2005-28-12 _audit_creation_method ; Page 129 from The Crystal Structure of Solids by P. J. Brown and J. B. Forsyth edited by prof. Bryan R. Coles, http://jcrystal.com/steffenweber/gallery/StructureTypes/st4.html , http://cimesg1.epfl.ch/CIOLS/crystal2.pl & http://webmineral.com/data/Linnaeite.shtml ; _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 9.401 _cell_length_b 9.401 _cell_length_c 9.401 _cell_volume 830.849 _cod_original_sg_symbol_H-M 'F d -3 m' _cod_original_formula_sum 'Co Co2 S4' _cod_database_code 5910107 loop_ _symmetry_equiv_pos_as_xyz x,y,z x+1/4,-z,y+1/4 x+1/4,z+1/4,-y z+1/4,y+1/4,-x -z,y+1/4,x+1/4 -y,x+1/4,z+1/4 y+1/4,-x,z+1/4 z,x,y y,z,x -y+1/4,-z+1/4,x z,-x+1/4,-y+1/4 -y+1/4,z,-x+1/4 -z+1/4,-x+1/4,y -z+1/4,x,-y+1/4 y,-z+1/4,-x+1/4 x,-y+1/4,-z+1/4 -x+1/4,y,-z+1/4 -x+1/4,-y+1/4,z y+1/4,x+1/4,-z -y,-x,-z z+1/4,-y,x+1/4 -z,-y,-x -x,z+1/4,y+1/4 -x,-z,-y -x,-y,-z -x+3/4,z,-y+3/4 -x+3/4,-z+3/4,y -z+3/4,-y+3/4,x z,-y+3/4,-x+3/4 y,-x+3/4,-z+3/4 -y+3/4,x,-z+3/4 -z,-x,-y -y,-z,-x y+3/4,z+3/4,-x -z,x+3/4,y+3/4 y+3/4,-z,x+3/4 z+3/4,x+3/4,-y z+3/4,-x,y+3/4 -y,z+3/4,x+3/4 -x,y+3/4,z+3/4 x+3/4,-y,z+3/4 x+3/4,y+3/4,-z -y+3/4,-x+3/4,z y,x,z -z+3/4,y,-x+3/4 z,y,x x,-z+3/4,-y+3/4 x,z,y x,y+1/2,z+1/2 x+1/4,-z+1/2,y+3/4 x+1/4,z+3/4,-y+1/2 z+1/4,y+3/4,-x+1/2 -z,y+3/4,x+3/4 -y,x+3/4,z+3/4 y+1/4,-x+1/2,z+3/4 z,x+1/2,y+1/2 y,z+1/2,x+1/2 -y+1/4,-z+3/4,x+1/2 z,-x+3/4,-y+3/4 -y+1/4,z+1/2,-x+3/4 -z+1/4,-x+3/4,y+1/2 -z+1/4,x+1/2,-y+3/4 y,-z+3/4,-x+3/4 x,-y+3/4,-z+3/4 -x+1/4,y+1/2,-z+3/4 -x+1/4,-y+3/4,z+1/2 y+1/4,x+3/4,-z+1/2 -y,-x+1/2,-z+1/2 z+1/4,-y+1/2,x+3/4 -z,-y+1/2,-x+1/2 -x,z+3/4,y+3/4 -x,-z+1/2,-y+1/2 -x,-y+1/2,-z+1/2 -x+3/4,z+1/2,-y+1/4 -x+3/4,-z+1/4,y+1/2 -z+3/4,-y+1/4,x+1/2 z,-y+1/4,-x+1/4 y,-x+1/4,-z+1/4 -y+3/4,x+1/2,-z+1/4 -z,-x+1/2,-y+1/2 -y,-z+1/2,-x+1/2 y+3/4,z+1/4,-x+1/2 -z,x+1/4,y+1/4 y+3/4,-z+1/2,x+1/4 z+3/4,x+1/4,-y+1/2 z+3/4,-x+1/2,y+1/4 -y,z+1/4,x+1/4 -x,y+1/4,z+1/4 x+3/4,-y+1/2,z+1/4 x+3/4,y+1/4,-z+1/2 -y+3/4,-x+1/4,z+1/2 y,x+1/2,z+1/2 -z+3/4,y+1/2,-x+1/4 z,y+1/2,x+1/2 x,-z+1/4,-y+1/4 x,z+1/2,y+1/2 x+1/2,y,z+1/2 x+3/4,-z,y+3/4 x+3/4,z+1/4,-y+1/2 z+3/4,y+1/4,-x+1/2 -z+1/2,y+1/4,x+3/4 -y+1/2,x+1/4,z+3/4 y+3/4,-x,z+3/4 z+1/2,x,y+1/2 y+1/2,z,x+1/2 -y+3/4,-z+1/4,x+1/2 z+1/2,-x+1/4,-y+3/4 -y+3/4,z,-x+3/4 -z+3/4,-x+1/4,y+1/2 -z+3/4,x,-y+3/4 y+1/2,-z+1/4,-x+3/4 x+1/2,-y+1/4,-z+3/4 -x+3/4,y,-z+3/4 -x+3/4,-y+1/4,z+1/2 y+3/4,x+1/4,-z+1/2 -y+1/2,-x,-z+1/2 z+3/4,-y,x+3/4 -z+1/2,-y,-x+1/2 -x+1/2,z+1/4,y+3/4 -x+1/2,-z,-y+1/2 -x+1/2,-y,-z+1/2 -x+1/4,z,-y+1/4 -x+1/4,-z+3/4,y+1/2 -z+1/4,-y+3/4,x+1/2 z+1/2,-y+3/4,-x+1/4 y+1/2,-x+3/4,-z+1/4 -y+1/4,x,-z+1/4 -z+1/2,-x,-y+1/2 -y+1/2,-z,-x+1/2 y+1/4,z+3/4,-x+1/2 -z+1/2,x+3/4,y+1/4 y+1/4,-z,x+1/4 z+1/4,x+3/4,-y+1/2 z+1/4,-x,y+1/4 -y+1/2,z+3/4,x+1/4 -x+1/2,y+3/4,z+1/4 x+1/4,-y,z+1/4 x+1/4,y+3/4,-z+1/2 -y+1/4,-x+3/4,z+1/2 y+1/2,x,z+1/2 -z+1/4,y,-x+1/4 z+1/2,y,x+1/2 x+1/2,-z+3/4,-y+1/4 x+1/2,z,y+1/2 x+1/2,y+1/2,z x+3/4,-z+1/2,y+1/4 x+3/4,z+3/4,-y z+3/4,y+3/4,-x -z+1/2,y+3/4,x+1/4 -y+1/2,x+3/4,z+1/4 y+3/4,-x+1/2,z+1/4 z+1/2,x+1/2,y y+1/2,z+1/2,x -y+3/4,-z+3/4,x z+1/2,-x+3/4,-y+1/4 -y+3/4,z+1/2,-x+1/4 -z+3/4,-x+3/4,y -z+3/4,x+1/2,-y+1/4 y+1/2,-z+3/4,-x+1/4 x+1/2,-y+3/4,-z+1/4 -x+3/4,y+1/2,-z+1/4 -x+3/4,-y+3/4,z y+3/4,x+3/4,-z -y+1/2,-x+1/2,-z z+3/4,-y+1/2,x+1/4 -z+1/2,-y+1/2,-x -x+1/2,z+3/4,y+1/4 -x+1/2,-z+1/2,-y -x+1/2,-y+1/2,-z -x+1/4,z+1/2,-y+3/4 -x+1/4,-z+1/4,y -z+1/4,-y+1/4,x z+1/2,-y+1/4,-x+3/4 y+1/2,-x+1/4,-z+3/4 -y+1/4,x+1/2,-z+3/4 -z+1/2,-x+1/2,-y -y+1/2,-z+1/2,-x y+1/4,z+1/4,-x -z+1/2,x+1/4,y+3/4 y+1/4,-z+1/2,x+3/4 z+1/4,x+1/4,-y z+1/4,-x+1/2,y+3/4 -y+1/2,z+1/4,x+3/4 -x+1/2,y+1/4,z+3/4 x+1/4,-y+1/2,z+3/4 x+1/4,y+1/4,-z -y+1/4,-x+1/4,z y+1/2,x+1/2,z -z+1/4,y+1/2,-x+3/4 z+1/2,y+1/2,x x+1/2,-z+1/4,-y+3/4 x+1/2,z+1/2,y loop_ _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_label 0.00000 0.00000 0.00000 Co1 0.62500 0.62500 0.62500 Co2 0.38700 0.38700 0.38700 S