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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/1/52/97/1529726.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_1529726
loop_
_publ_author_name
'Carpenter, G.B.'
'Wold, A.'
'Wu, P.'
'Gao, Y.M.'
_publ_section_title
;
 Redetermination of crystal structure of zinc thiogallate
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1077
_journal_page_last               1082
_journal_volume                  24
_journal_year                    1989
_chemical_formula_sum            'Ga2 S4 Zn'
_chemical_name_systematic        'Zn (Ga2 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                   5.297
_cell_length_b                   5.297
_cell_length_c                   10.363
_cell_volume                     290.767
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Carpenter_MRBUAC_1989_1851.cif
_cod_data_source_block           Ga2S4Zn1
_cod_original_cell_volume        290.7672
_cod_original_formula_sum        'Ga2 S4 Zn1'
_cod_database_code               1529726
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
Ga2 Ga+3 0 0 0 1 0.0
Ga1 Ga+3 0 0.5 0.25 0.5 0.0
S1 S-2 0.2563 0.2563 0.1187 1 0.0
Zn1 Zn+2 0 0.5 0.25 0.5 0.0
