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#$Date: 2019-02-22 14:53:45 +0200 (Fri, 22 Feb 2019) $
#$Revision: 213787 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/40/1524073.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_1524073
loop_
_publ_author_name
'Bhikshamaiah, G.'
'Subramanya Sarma, M.V.'
'Suryanarayana, S.V.'
_publ_section_title
;
 High temperature lattice thermal expansion of Cu Fe2 P3 + 0.8(Cu2 Ge S3)
 alloy
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              5
_journal_page_last               8
_journal_paper_doi               10.1016/0022-5088(85)90159-6
_journal_volume                  113
_journal_year                    1985
_chemical_formula_sum            'Cu Ge P S'
_chemical_name_systematic        '(Cu Ge) (P S)'
_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            2
_cell_length_a                   5.2961
_cell_length_b                   5.2961
_cell_length_c                   5.2961
_cell_volume                     148.549
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Bhikshamaiah_JCOMAH_1985_1483.cif
_cod_data_source_block           Cu1Ge1P1Se1
_cod_original_cell_volume        148.5486
_cod_original_formula_sum        'Cu1 Ge1 P1 Se1'
_cod_database_code               1524073
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
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x,z,y
y,z,x
y,-z,-x
-z,-y,x
-y,z,-x
z,y,x
-y,-z,x
-z,y,-x
z,-y,-x
x,y+1/2,z+1/2
y,-x+1/2,-z+1/2
-x,-y+1/2,z+1/2
-y,x+1/2,-z+1/2
x,-y+1/2,-z+1/2
-y,-x+1/2,z+1/2
-x,y+1/2,-z+1/2
y,x+1/2,z+1/2
z,x+1/2,y+1/2
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-z,-x+1/2,y+1/2
-x,z+1/2,-y+1/2
z,-x+1/2,-y+1/2
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-z,x+1/2,-y+1/2
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y,z+1/2,x+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
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z+1/2,-x,-y+1/2
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y+1/2,x+1/2,z
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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 0 0 0.5 0.0
S1 S-2 0.25 0.25 0.25 0.5 0.0
Cu1 Cu+1 0 0 0 0.5 0.0
P1 P-3 0.25 0.25 0.25 0.5 0.0
