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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/40/1534008.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_1534008
loop_
_publ_author_name
'Kozlenko, D.P.'
'Glazkov, V.P.'
'Hull, S.'
'Savenko, B.N.'
'Shchennikov, V.V.'
'Voronin, V.I.'
_publ_section_title
;
 Structural study of ternary mercury chalcogenides at high pressures
;
_journal_name_full               'Appl. Phys. A'
_journal_page_first              S983
_journal_page_last               S985
_journal_volume                  74
_journal_year                    2002
_chemical_formula_sum            'Hg S0.15 Te0.85'
_chemical_name_systematic        'Hg (Te0.85 S0.15)'
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.415
_cell_length_b                   4.415
_cell_length_c                   9.927
_cell_volume                     167.575
_citation_journal_id_ASTM        APAMFC
_cod_data_source_file            Kozlenko_APAMFC_2002_288.cif
_cod_data_source_block           Hg1S0.15Te0.85
_cod_original_cell_volume        167.5753
_cod_original_formula_sum        'Hg1 S0.15 Te0.85'
_cod_database_code               1534008
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z+1/3
-x+y,-x,z+2/3
y,x,-z
-x,-x+y,-z+1/3
x-y,-y,-z+2/3
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 0.539 0 0.8333 0.85 0.0
S1 S-2 0.539 0 0.8333 0.15 0.0
Hg1 Hg+2 0.608 0 0.3333 1 0.0
