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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/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_original_formula_sum        '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
