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#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/97/1509741.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_1509741
loop_
_publ_author_name
'Parasyuk, O.V.'
'Gulay, L.D.'
_publ_section_title
;
 Crystal structure of the Ag2.66 Hg2 Sn1.34 Se6 and Hg2 Sn Se4 compounds
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              94
_journal_page_last               98
_journal_paper_doi               10.1016/S0925-8388(01)01912-0
_journal_volume                  337
_journal_year                    2002
_chemical_formula_sum            'Ag2.666 Hg2 Se6 Sn1.334'
_chemical_name_systematic        '(Ag2 Hg2) (Ag0.333 Sn0.667)2 Se6'
_space_group_IT_number           44
_symmetry_space_group_name_Hall  'I 2 -2'
_symmetry_space_group_name_H-M   'I m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   12.795
_cell_length_b                   4.2631
_cell_length_c                   5.8207
_cell_volume                     317.498
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            silver2-3_218.cif
_cod_data_source_block           Ag2.666Hg2Se6Sn1.334
_cod_database_code               1509741
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x,y,z
x,-y,z
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,z+1/2
x+1/2,-y+1/2,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
Sn1 Sn+4 0 0.5 0.764 0.667 0.0
Hg1 Hg+2 0.1675 0 0.27 0.5 0.0
Se1 Se-2 0.3453 0 0.028 1 0.0
Ag1 Ag+1 0.1675 0 0.27 0.5 0.0
Se2 Se-2 0 0 0.022 1 0.0
Ag2 Ag+1 0 0.5 0.764 0.333 0.0
