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#$Date: 2014-07-11 19:04:56 +0300 (Fri, 11 Jul 2014) $
#$Revision: 120072 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/53/2105379.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_2105379
loop_
_publ_author_name
'Carre, D.'
'Ollitrault-Fichet, R.'
'Flahaut, J.'
_publ_section_title
;
 Structure de Ag8 Ge Se6 beta
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              245
_journal_page_last               249
_journal_volume                  36
_journal_year                    1980
_chemical_formula_sum            'Ag8 Ge Se6'
_chemical_name_systematic        'Ag8 Ge Se6'
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.823
_cell_length_b                   7.712
_cell_length_c                   10.885
_cell_volume                     656.703
_citation_journal_id_ASTM        ACBCAR
_[local]_cod_data_source_file    silver3-x_284.cif
_[local]_cod_data_source_block   Ag8Ge1Se6
_[local]_cod_chemical_formula_sum_orig 'Ag8 Ge1 Se6'
_cod_original_cell_volume        656.7027
_cod_database_code               2105379
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
-x,y,z
x+1/2,-y,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
Se3 Se-2 0 0.0029 0.6482 1 0.0
Se1 Se-2 0 0.2916 0 1 0.0
Ag2 Ag+1 0.2002 0.102 0.8619 1 0.0
Ag3 Ag+1 0.2034 0.5352 0.2696 1 0.0
Ag1 Ag+1 0 0.6263 0.0412 1 0.0
Se2 Se-2 0 0.8083 0.2501 1 0.0
Ge1 Ge+4 0 0.2479 0.52 1 0.0
Ag4 Ag+1 0.1912 0.1464 0.1559 1 0.0
Se4 Se-2 0 0.4887 0.6494 1 0.0
Se5 Se-2 0.2524 0.7536 0.8997 1 0.0
Ag5 Ag+1 0 0.7238 0.4807 1 0.0
_journal_paper_doi 10.1107/S0567740880003032