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#$Date: 2017-03-13 09:31:13 +0100 (Mon, 13 Mar 2017) $
#$Revision: 194197 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/2/10/53/2105385.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_2105385
loop_
_publ_author_name
'Gelato, L.M.'
'Penzo, M.'
'Parthe, E.'
'Cenzual, K.'
_publ_section_title
;
 Inorganic structure types with revised space groups.I.
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              433
_journal_page_last               439
_journal_paper_doi               10.1107/s0108768191000903
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'Ag3 Te2 Tl'
_chemical_name_systematic        'Ag3 Tl Te2'
_space_group_IT_number           65
_symmetry_space_group_name_Hall  '-C 2 2'
_symmetry_space_group_name_H-M   'C m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.6
_cell_length_b                   15.45
_cell_length_c                   4.76
_cell_volume                     338.293
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            silver3-x_86.cif
_cod_data_source_block           Ag3Te2Tl1
_cod_original_cell_volume        338.2932
_cod_original_formula_sum        'Ag3 Te2 Tl1'
_cod_database_code               2105385
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
-x,-y,-z
x,y,-z
-x,y,z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z
-x+1/2,y+1/2,z
x+1/2,-y+1/2,z
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
Te1 Te-2 0 0.127 0.5 1 0.0
Ag2 Ag+1 0.5 0 0.5 1 0.0
Tl1 Tl+1 0 0 0 1 0.0
Ag1 Ag+1 0 0.315 0 1 0.0
