#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/8/10/42/8104252.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_8104252 loop_ _publ_author_name 'Mooney-Slater, R.C.L.' _publ_section_title ; An X-ray diffraction study of tetragonal U S2 ; _journal_name_full ; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) ; _journal_page_first 278 _journal_page_last 285 _journal_volume 120 _journal_year 1964 _chemical_formula_sum 'S2 U' _chemical_name_systematic 'U S2' _space_group_IT_number 140 _symmetry_space_group_name_Hall '-I 4 2c' _symmetry_space_group_name_H-M 'I 4/m c m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 10 _cell_length_a 10.28 _cell_length_b 10.28 _cell_length_c 6.327 _cell_volume 668.627 _citation_journal_id_ASTM ZEKGAX _cod_data_source_file Mooney-Slater_ZEKGAX_1964_1536.cif _cod_data_source_block S2U1 _cod_original_cell_volume 668.6272 _cod_original_formula_sum 'S2 U1' _cod_database_code 8104252 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x,z -x,-y,z y,-x,z x,-y,-z+1/2 y,x,-z+1/2 -x,y,-z+1/2 -y,-x,-z+1/2 -x,-y,-z y,-x,-z x,y,-z -y,x,-z -x,y,z-1/2 -y,-x,z-1/2 x,-y,z-1/2 y,x,z-1/2 x+1/2,y+1/2,z+1/2 -y+1/2,x+1/2,z+1/2 -x+1/2,-y+1/2,z+1/2 y+1/2,-x+1/2,z+1/2 x+1/2,-y+1/2,-z+1 y+1/2,x+1/2,-z+1 -x+1/2,y+1/2,-z+1 -y+1/2,-x+1/2,-z+1 -x+1/2,-y+1/2,-z+1/2 y+1/2,-x+1/2,-z+1/2 x+1/2,y+1/2,-z+1/2 -y+1/2,x+1/2,-z+1/2 -x+1/2,y+1/2,z -y+1/2,-x+1/2,z x+1/2,-y+1/2,z y+1/2,x+1/2,z 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 U2 U+4 0.157 0.657 0 1 0.0 U1 U+4 0 0 0.25 0.5 0.0 S2 S-2 0.078 0.212 0 1 0.0 S1 S-2 0 0.5 0.25 1 0.0