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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/8/10/41/8104192.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_8104192
loop_
_publ_author_name
'Francois, M.'
'Yvon, K.'
'Alexandrov, O.V.'
'Gougeon, P.'
'Ben Yaich-Aerrache, H.'
'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           160
_symmetry_space_group_name_Hall  'P 3* -2'
_symmetry_space_group_name_H-M   'R 3 m :R'
_cell_angle_alpha                60.572
_cell_angle_beta                 60.572
_cell_angle_gamma                60.572
_cell_formula_units_Z            1
_cell_length_a                   7.1537
_cell_length_b                   7.1537
_cell_length_c                   7.1537
_cell_volume                     262.212
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Francois_ZEKRDZ_1992_41.cif
_cod_data_source_block           Ga1Mo4Se8
_cod_original_cell_volume        262.2121
_cod_original_sg_symbol_Hall     'R 3 -2" (-y+z,x+z,-x+y+z)'
_cod_original_formula_sum        'Ga1 Mo4 Se8'
_cod_database_code               8104192
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
y,x,z
z,y,x
x,z,y
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
Mo1 Mo+3 0.4016 0.4016 0.4016 1 0.0
Se1 Se-2 0.64 0.64 0.64 1 0.0
Se3 Se-2 0.138 0.138 0.138 1 0.0
Se4 Se-2 0.142 0.142 0.593 1 0.0
Ga1 Ga+3 0 0 0 1 0.0
Mo2 Mo+3 0.399 0.399 0.804 1 0.0
Se2 Se-2 0.64 0.64 0.09 1 0.0
