#------------------------------------------------------------------------------
#$Date: 2015-10-14 18:35:49 +0300 (Wed, 14 Oct 2015) $
#$Revision: 168858 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/72/2107232.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_2107232
loop_
_publ_author_name
'Dogguy, M.'
'Rivet, J.'
'Jaulmes, S.'
'Laruelle, P.'
_publ_section_title
;
 Structure du sulfure de cuivre et de silicium Cu5 Si2 S7
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2014
_journal_page_last               2016
_journal_volume                  38
_journal_year                    1982
_chemical_formula_sum            'Cu5 S7 Si2'
_chemical_name_systematic        'Cu5 Si2 S7'
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.38
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.216
_cell_length_b                   6.317
_cell_length_c                   9.597
_cell_volume                     982.235
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Dogguy_ACBCAR_1982_285.cif
_cod_data_source_block           Cu5S7Si2
_cod_original_cell_volume        982.2348
_cod_database_code               2107232
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,z+1/2
x+1/2,y+1/2,z
x+1/2,-y+1/2,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
Si2 Si 0.5177 0.833 0.0034 1 0.0
Cu5 Cu 0.2311 0.8241 0.5787 1 0.0
S3 S 0.3356 0.8302 0.7506 1 0.0
Cu1 Cu 0.3771 0.8349 0.2992 1 0.0
Si1 Si 0.8038 0.829 0.4366 1 0.0
S1 S 0.2067 0.825 0.03 1 0.0
S7 S 0.7738 0.8553 0.8871 1 0.0
S4 S 0.4849 0.8502 0.4623 1 0.0
S5 S 0.9137 0.8307 0.5863 1 0.0
Cu2 Cu 0.6634 0.8587 0.7258 1 0.0
S2 S 0.6148 0.8163 0.1593 1 0.0
S6 S 0.0572 0.832 0.3221 1 0.0
Cu3 Cu 0.0929 0.8269 0.8753 1 0.0
Cu4 Cu 0.9475 0.8179 0.1638 1 0.0
