#------------------------------------------------------------------------------ #$Date: 2015-10-13 12:01:32 +0300 (Tue, 13 Oct 2015) $ #$Revision: 167012 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/10/71/2107119.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2107119 loop_ _publ_author_name 'Parthe, E.' 'Yvon, K.' 'Deitch, R.H.' _publ_section_title ; The Crystal Structure of Cu2 Cd Ge S4 and Other Quaternary Normal Tetrahedral Structure Compounds ; _journal_name_full 'Acta Crystallographica B (24,1968-38,1982)' _journal_page_first 1164 _journal_page_last 1174 _journal_volume 25 _journal_year 1969 _chemical_formula_sum 'Cd Cu2 Ge S4' _chemical_name_systematic 'Cu2 Cd Ge S4' _space_group_IT_number 31 _symmetry_space_group_name_Hall 'P 2ac -2' _symmetry_space_group_name_H-M 'P m n 21' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 7.692 _cell_length_b 6.555 _cell_length_c 6.299 _cell_volume 317.602 _citation_journal_id_ASTM ACBCAR _cod_data_source_file Parthe_ACBCAR_1969_1113.cif _cod_data_source_block Cd1Cu2Ge1S4 _cod_original_cell_volume 317.6022 _cod_chemical_formula_sum_orig 'Cd1 Cu2 Ge1 S4' _cod_database_code 2107119 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y,z+1/2 -x,y,z x+1/2,-y,z+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 S1 S-2 0.226 0.344 0.359 1 0.0 S2 S-2 0 0.199 0.838 1 0.0 Cu1 Cu+1 0.252 0.324 0 1 0.0 S3 S-2 0 0.851 0.394 1 0.0 Cd1 Cd+2 0 0.848 0.995 1 0.0 Ge1 Ge+4 0 0.179 0.49 1 0.0