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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/8/10/41/8104188.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_8104188
loop_
_publ_author_name
'Francois, M.'
'Gougeon, P.'
'Alexandrov, O.V.'
'Ben Yaich-Aerrache, H.'
'Yvon, K.'
'Potel, M.'
'Sergent, M.'
_publ_section_title
;
 Structural phase transition in Ga Mo4 Se8 and Al Mo4 S8 by X-ray powder
 diffraction
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              47
_journal_page_last               55
_journal_volume                  200
_journal_year                    1992
_chemical_formula_sum            'Ga Mo4 Se8'
_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                   10.1747
_cell_length_b                   10.1747
_cell_length_c                   10.1747
_cell_volume                     1053.331
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Francois_ZEKRDZ_1992_39.cif
_cod_data_source_block           Ga1Mo4Se8
_cod_original_formula_sum        'Ga1 Mo4 Se8'
_cod_database_code               8104188
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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-y,z,-x
z,y,x
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x,y+1/2,z+1/2
y,-x+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
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z,-x+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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y+1/2,x,z+1/2
z+1/2,x,y+1/2
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-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
Ga1 Ga+3 0 0 0 1 0.0
Se2 Se-2 0.136 0.136 0.136 1 0.0
Mo1 Mo+3 0.3999 0.3999 0.3999 1 0.0
Se1 Se-2 0.6377 0.6377 0.6377 1 0.0
