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#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/53/2105383.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_2105383
loop_
_publ_author_name
'Loiseleur, H.'
'Faure, R.'
'Roubin, M.'
'Deloume, J.P.'
_publ_section_title
;
 Structure cristalline de la phase Ag9 Ga Se6-beta
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              3189
_journal_page_last               3193
_journal_paper_doi               10.1107/S0567740878010468
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'Ag9 Ga Se6'
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.126
_cell_length_b                   11.126
_cell_length_c                   11.126
_cell_volume                     1377.264
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            silver3-x_303.cif
_cod_data_source_block           Ag9Ga1Se6
_cod_original_formula_sum        'Ag9 Ga1 Se6'
_cod_database_code               2105383
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
z,x,y
-z+1/2,-x,y+1/2
z+1/2,-x+1/2,-y
-z,x+1/2,-y+1/2
y,z,x
y+1/2,-z+1/2,-x
-y,z+1/2,-x+1/2
-y+1/2,-z,x+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 0.2628 0.2628 0.2628 1 0.0
Ag2 Ag+1 0.2272 0.2308 0.0313 1 0.0
Ag3 Ag+1 -0.1692 0.0349 -0.1466 1 0.0
Se4 Se-2 0.3975 0.6232 0.3672 1 0.0
Se1 Se-2 0.0192 0.0192 0.0192 1 0.0
Ag1 Ag+1 -0.1727 0.0697 0.1378 1 0.0
Se2 Se-2 0.6304 0.6304 0.6304 1 0.0
Ga1 Ga+3 0.508 0.508 0.508 1 0.0
