#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/04/2310490.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_2310490
loop_
_publ_author_name
'Steigmann, G.A.'
_publ_section_title
;
 The crystal structure of Zn Al2 S4
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              142
_journal_page_last               147
_journal_volume                  23
_journal_year                    1967
_chemical_formula_sum            'Al2 S4 Zn'
_chemical_name_systematic        'Zn Al2 S4'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.825
_cell_length_b                   7.5
_cell_length_c                   6.099
_cell_volume                     586.648
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Steigmann_ACCRA9_1967_1421.cif
_cod_data_source_block           Al2S4Zn1
_cod_original_cell_volume        586.6475
_cod_original_formula_sum        'Al2 S4 Zn1'
_cod_database_code               2310490
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x+1/2,y+1/2,z+1/2
x+1/2,-y+1/2,z
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
S3 S-2 0.083 0.25 0.5 1 0.0
Zn1 Zn+2 0.167 0 0.625 0.5 0.0
Al2 Al+3 0.083 0.75 0.125 1 0.0
Al1 Al+3 0.083 0.25 0.125 1 0.0
Zn2 Zn+2 0.167 0.5 0.625 0.5 0.0
S2 S-2 0.167 0.5 0 1 0.0
S4 S-2 0.083 0.75 0.5 1 0.0
S1 S-2 0.167 0 0 1 0.0
