#------------------------------------------------------------------------------ #$Date: 2015-10-09 22:40:27 +0300 (Fri, 09 Oct 2015) $ #$Revision: 162986 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/55/1535569.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_1535569 loop_ _publ_author_name 'Tremblet, M.' 'Colombet, P.' 'Danot, M.' 'Rouxel, J.' _publ_section_title ; Les systemes pseudo-binaires Cu Cr S2 - M S2 (M = Ti, Sn): les spinelles Cu(y) Cr(y) M(2-y) S4 (Cu(x) Cr(x) M(1-x) S2) ; _journal_name_full 'Revue de Chimie Minerale' _journal_page_first 183 _journal_page_last 191 _journal_volume 17 _journal_year 1980 _chemical_formula_sum 'Cr0.8 Cu0.8 S4 Ti1.2' _chemical_name_systematic 'Cu0.8 (Cr0.8 Ti1.2) S4' _space_group_IT_number 227 _symmetry_space_group_name_Hall 'F 4d 2 3 -1d' _symmetry_space_group_name_H-M 'F d -3 m :1' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 9.916 _cell_length_b 9.916 _cell_length_c 9.916 _cell_volume 975.011 _citation_journal_id_ASTM RVCMA8 _cod_data_source_file Tremblet_RVCMA8_1980_1698.cif _cod_data_source_block Cr0.8Cu0.8S4Ti1.2 _cod_cif_authors_sg_Hall '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)' _cod_original_cell_volume 975.0112 _cod_database_code 1535569 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y+1/4,x+1/4,z+1/4 -x,-y+1/2,z+1/2 y+3/4,-x+1/4,z+3/4 x,-y+1/2,-z+1/2 y+3/4,x+1/4,-z+3/4 -x,y,-z -y+1/4,-x+1/4,-z+1/4 z,x,y -x+1/4,z+1/4,y+1/4 -z,-x+1/2,y+1/2 x+3/4,-z+1/4,y+3/4 z,-x+1/2,-y+1/2 x+3/4,z+1/4,-y+3/4 -z,x,-y -x+1/4,-z+1/4,-y+1/4 y,z,x y+1/2,-z,-x+1/2 z+1/4,y+3/4,-x+3/4 -y+1/2,z+1/2,-x -z+1/4,-y+3/4,-x+3/4 -y+1/2,-z+1/2,x z+1/4,-y+1/4,x+1/4 -z+3/4,y+1/4,x+3/4 -x+1/4,-y+1/4,-z+1/4 y,-x,-z x+1/4,y-1/4,-z-1/4 -y-1/2,x,-z-1/2 -x+1/4,y-1/4,z-1/4 -y-1/2,-x,z-1/2 x+1/4,-y+1/4,z+1/4 y,x,z -z+1/4,-x+1/4,-y+1/4 x,-z,-y z+1/4,x-1/4,-y-1/4 -x-1/2,z,-y-1/2 -z+1/4,x-1/4,y-1/4 -x-1/2,-z,y-1/2 z+1/4,-x+1/4,y+1/4 x,z,y -y+1/4,-z+1/4,-x+1/4 -y-1/4,z+1/4,x-1/4 -z,-y-1/2,x-1/2 y-1/4,-z-1/4,x+1/4 z,y-1/2,x-1/2 y-1/4,z-1/4,-x+1/4 -z,y,-x z-1/2,-y,-x-1/2 x,y+1/2,z+1/2 -y+1/4,x+3/4,z+3/4 -x,-y+1,z+1 y+3/4,-x+3/4,z+5/4 x,-y+1,-z+1 y+3/4,x+3/4,-z+5/4 -x,y+1/2,-z+1/2 -y+1/4,-x+3/4,-z+3/4 z,x+1/2,y+1/2 -x+1/4,z+3/4,y+3/4 -z,-x+1,y+1 x+3/4,-z+3/4,y+5/4 z,-x+1,-y+1 x+3/4,z+3/4,-y+5/4 -z,x+1/2,-y+1/2 -x+1/4,-z+3/4,-y+3/4 y,z+1/2,x+1/2 y+1/2,-z+1/2,-x+1 z+1/4,y+5/4,-x+5/4 -y+1/2,z+1,-x+1/2 -z+1/4,-y+5/4,-x+5/4 -y+1/2,-z+1,x+1/2 z+1/4,-y+3/4,x+3/4 -z+3/4,y+3/4,x+5/4 -x+1/4,-y+3/4,-z+3/4 y,-x+1/2,-z+1/2 x+1/4,y+1/4,-z+1/4 -y-1/2,x+1/2,-z -x+1/4,y+1/4,z+1/4 -y-1/2,-x+1/2,z x+1/4,-y+3/4,z+3/4 y,x+1/2,z+1/2 -z+1/4,-x+3/4,-y+3/4 x,-z+1/2,-y+1/2 z+1/4,x+1/4,-y+1/4 -x-1/2,z+1/2,-y -z+1/4,x+1/4,y+1/4 -x-1/2,-z+1/2,y z+1/4,-x+3/4,y+3/4 x,z+1/2,y+1/2 -y+1/4,-z+3/4,-x+3/4 -y-1/4,z+3/4,x+1/4 -z,-y,x y-1/4,-z+1/4,x+3/4 z,y,x y-1/4,z+1/4,-x+3/4 -z,y+1/2,-x+1/2 z-1/2,-y+1/2,-x x+1/2,y,z+1/2 -y+3/4,x+1/4,z+3/4 -x+1/2,-y+1/2,z+1 y+5/4,-x+1/4,z+5/4 x+1/2,-y+1/2,-z+1 y+5/4,x+1/4,-z+5/4 -x+1/2,y,-z+1/2 -y+3/4,-x+1/4,-z+3/4 z+1/2,x,y+1/2 -x+3/4,z+1/4,y+3/4 -z+1/2,-x+1/2,y+1 x+5/4,-z+1/4,y+5/4 z+1/2,-x+1/2,-y+1 x+5/4,z+1/4,-y+5/4 -z+1/2,x,-y+1/2 -x+3/4,-z+1/4,-y+3/4 y+1/2,z,x+1/2 y+1,-z,-x+1 z+3/4,y+3/4,-x+5/4 -y+1,z+1/2,-x+1/2 -z+3/4,-y+3/4,-x+5/4 -y+1,-z+1/2,x+1/2 z+3/4,-y+1/4,x+3/4 -z+5/4,y+1/4,x+5/4 -x+3/4,-y+1/4,-z+3/4 y+1/2,-x,-z+1/2 x+3/4,y-1/4,-z+1/4 -y,x,-z -x+3/4,y-1/4,z+1/4 -y,-x,z x+3/4,-y+1/4,z+3/4 y+1/2,x,z+1/2 -z+3/4,-x+1/4,-y+3/4 x+1/2,-z,-y+1/2 z+3/4,x-1/4,-y+1/4 -x,z,-y -z+3/4,x-1/4,y+1/4 -x,-z,y z+3/4,-x+1/4,y+3/4 x+1/2,z,y+1/2 -y+3/4,-z+1/4,-x+3/4 -y+1/4,z+1/4,x+1/4 -z+1/2,-y-1/2,x y+1/4,-z-1/4,x+3/4 z+1/2,y-1/2,x y+1/4,z-1/4,-x+3/4 -z+1/2,y,-x+1/2 z,-y,-x x+1/2,y+1/2,z -y+3/4,x+3/4,z+1/4 -x+1/2,-y+1,z+1/2 y+5/4,-x+3/4,z+3/4 x+1/2,-y+1,-z+1/2 y+5/4,x+3/4,-z+3/4 -x+1/2,y+1/2,-z -y+3/4,-x+3/4,-z+1/4 z+1/2,x+1/2,y -x+3/4,z+3/4,y+1/4 -z+1/2,-x+1,y+1/2 x+5/4,-z+3/4,y+3/4 z+1/2,-x+1,-y+1/2 x+5/4,z+3/4,-y+3/4 -z+1/2,x+1/2,-y -x+3/4,-z+3/4,-y+1/4 y+1/2,z+1/2,x y+1,-z+1/2,-x+1/2 z+3/4,y+5/4,-x+3/4 -y+1,z+1,-x -z+3/4,-y+5/4,-x+3/4 -y+1,-z+1,x z+3/4,-y+3/4,x+1/4 -z+5/4,y+3/4,x+3/4 -x+3/4,-y+3/4,-z+1/4 y+1/2,-x+1/2,-z x+3/4,y+1/4,-z-1/4 -y,x+1/2,-z-1/2 -x+3/4,y+1/4,z-1/4 -y,-x+1/2,z-1/2 x+3/4,-y+3/4,z+1/4 y+1/2,x+1/2,z -z+3/4,-x+3/4,-y+1/4 x+1/2,-z+1/2,-y z+3/4,x+1/4,-y-1/4 -x,z+1/2,-y-1/2 -z+3/4,x+1/4,y-1/4 -x,-z+1/2,y-1/2 z+3/4,-x+3/4,y+1/4 x+1/2,z+1/2,y -y+3/4,-z+3/4,-x+1/4 -y+1/4,z+3/4,x-1/4 -z+1/2,-y,x-1/2 y+1/4,-z+1/4,x+1/4 z+1/2,y,x-1/2 y+1/4,z+1/4,-x+1/4 -z+1/2,y+1/2,-x z,-y+1/2,-x-1/2 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 Cr1 Cr+3 0.625 0.625 0.625 0.4 0.0 S1 S-2 0.383 0.383 0.383 1 0.0 Ti1 Ti+4 0.625 0.625 0.625 0.6 0.0 Cu1 Cu+1 0 0 0 0.8 0.0