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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/2/31/04/2310473.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_2310473
loop_
_publ_author_name
'Romers, C.'
'Blaisse, B.A.'
'Ijdo, D.J.W.'
_publ_section_title
;
 Complex sulphur compounds.I. The crystal structure of Mg Ga2 S4
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              634
_journal_page_last               640
_journal_volume                  23
_journal_year                    1967
_chemical_formula_sum            'Ga2 Mg S4'
_chemical_name_systematic        'Mg Ga2 S4'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.8
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   12.74
_cell_length_b                   22.54
_cell_length_c                   6.43
_cell_volume                     1747.927
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Romers_ACCRA9_1967_1399.cif
_cod_data_source_block           Ga2Mg1S4
_cod_original_formula_sum        'Ga2 Mg1 S4'
_cod_database_code               2310473
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
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
Mg1 Mg+2 0 -0.1298 0.25 1 0.0
Ga3 Ga+3 0.3163 0.2003 0.1476 1 0.0
Mg3 Mg+2 0 0.218 0.25 1 0.0
S6 S-2 0.3844 -0.1981 0.1223 1 0.0
S1 S-2 0.1091 -0.1319 -0.0158 1 0.0
Ga1 Ga+3 0.2921 -0.1249 0.118 1 0.0
S4 S-2 0.3742 0.1179 0.0002 1 0.0
S2 S-2 0.1085 0.0439 -0.0162 1 0.0
Ga2 Ga+3 0.2887 0.0402 0.1188 1 0.0
S3 S-2 0.1283 0.2162 -0.0021 1 0.0
Mg2 Mg+2 0 0.0436 0.25 1 0.0
S5 S-2 0.3665 -0.0409 0.0009 1 0.0
