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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/14/1531457.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_1531457
loop_
_publ_author_name
'Gulay, L.D.'
'Parasyuk, O.V.'
'Romanyuk, Ya.E.'
_publ_section_title
;
 Preparation and crystal structuure of the Cu9 Ge S6-x (x=0.579) compound
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              109
_journal_page_last               112
_journal_volume                  333
_journal_year                    2002
_chemical_formula_sum            'Cu8.952 Ge S5.421'
_space_group_IT_number           216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.9567
_cell_length_b                   9.9567
_cell_length_c                   9.9567
_cell_volume                     987.066
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Gulay_JALCEU_2002_378.cif
_cod_data_source_block           Cu8.952Ge1S5.421
_cod_original_cell_volume        987.0663
_cod_original_formula_sum        'Cu8.952 Ge1 S5.421'
_cod_database_code               1531457
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x,-y,-z
-y,-x,z
-x,y,-z
y,x,z
z,x,y
x,-z,-y
-z,-x,y
-x,z,-y
z,-x,-y
-x,-z,y
-z,x,-y
x,z,y
y,z,x
y,-z,-x
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z,y,x
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-z,y,-x
z,-y,-x
x,y+1/2,z+1/2
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x,-y+1/2,-z+1/2
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-x,y+1/2,-z+1/2
y,x+1/2,z+1/2
z,x+1/2,y+1/2
x,-z+1/2,-y+1/2
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z,-x+1/2,-y+1/2
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x,z+1/2,y+1/2
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z,y+1/2,x+1/2
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x+1/2,y,z+1/2
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x+1/2,-y,-z+1/2
-y+1/2,-x,z+1/2
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y+1/2,x,z+1/2
z+1/2,x,y+1/2
x+1/2,-z,-y+1/2
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-x+1/2,z,-y+1/2
z+1/2,-x,-y+1/2
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y+1/2,z,x+1/2
y+1/2,-z,-x+1/2
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z+1/2,y,x+1/2
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y+1/2,-x+1/2,-z
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-x+1/2,y+1/2,-z
y+1/2,x+1/2,z
z+1/2,x+1/2,y
x+1/2,-z+1/2,-y
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-x+1/2,z+1/2,-y
z+1/2,-x+1/2,-y
-x+1/2,-z+1/2,y
-z+1/2,x+1/2,-y
x+1/2,z+1/2,y
y+1/2,z+1/2,x
y+1/2,-z+1/2,-x
-z+1/2,-y+1/2,x
-y+1/2,z+1/2,-x
z+1/2,y+1/2,x
-y+1/2,-z+1/2,x
-z+1/2,y+1/2,-x
z+1/2,-y+1/2,-x
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
Ge1 Ge+4 0.5 0.5 0.5 1 0.0
Cu2 Cu 0.1385 0.1385 0.0882 0.346 0.0
S2 S-2 0.25 0.25 0.25 1 0.0
S3 S-2 0 0 0 0.421 0.0
S1 S-2 0.6356 0.6356 0.6356 1 0.0
Cu3 Cu 0.1994 0.1994 0.0261 0.298 0.0
Cu1 Cu 0.161 0.044 0.897 0.051 0.0
