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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/8/10/43/8104318.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_8104318
loop_
_publ_author_name
'Schwer, H.'
'Kraemer, V.'
_publ_section_title
;
 The crystal structures of Cd Al2S4, Hg Al2S4, and Hg Ga2S4
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              103
_journal_page_last               110
_journal_volume                  190
_journal_year                    1990
_chemical_formula_sum            'Al2 Hg S4'
_chemical_name_systematic        'Hg Al2 S4'
_space_group_IT_number           121
_symmetry_space_group_name_Hall  'I -4 2'
_symmetry_space_group_name_H-M   'I -4 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.5059
_cell_length_b                   5.5059
_cell_length_c                   10.1918
_cell_volume                     308.964
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Schwer_ZEKRDZ_1990_1952.cif
_cod_data_source_block           Al2Hg1S4
_cod_original_cell_volume        308.9637
_cod_original_formula_sum        'Al2 Hg1 S4'
_cod_database_code               8104318
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x,-y,-z
-y,-x,z
-x,y,-z
y,x,z
x+1/2,y+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
-y+1/2,x+1/2,-z+1/2
x+1/2,-y+1/2,-z+1/2
-y+1/2,-x+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
y+1/2,x+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
Hg1 Hg+2 0 0 0 1 0.0
S1 S-2 0.2272 0.2272 0.3633 1 0.0
Al2 Al+3 0 0.5 0.25 0.5 0.0
Al1 Al+3 0 0 0.5 1 0.0
