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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/58/1525846.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_1525846
loop_
_publ_author_name
'Lopez-Rivera, S.A.'
'Mora, A.J.'
'Acosta Najarro, D.'
'Rivera, A.V.'
'Avila Godoy, R.'
_publ_section_title
;
 Determination of the structure of IIIa-(Zn In2 S4) using convergent-beam
 electron diffraction and single-crystal X-ray diffraction
;
_journal_name_full               'Semiconductor Science and Technology'
_journal_page_first              367
_journal_page_last               371
_journal_volume                  16
_journal_year                    2001
_chemical_formula_sum            'In2 S4 Zn'
_chemical_name_systematic        'Zn In2 S4'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   3.8728
_cell_length_b                   3.8728
_cell_length_c                   37.0664
_cell_volume                     481.461
_citation_journal_id_ASTM        SSTEET
_cod_data_source_file            Lopez-Rivera_SSTEET_2001_1967.cif
_cod_data_source_block           In2S4Zn1
_cod_original_cell_volume        481.4611
_cod_original_formula_sum        'In2 S4 Zn1'
_cod_database_code               1525846
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,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
In1 In+3 0 0 0.77004 0.5 0.0
S2 S-2 0 0 0.7038 1 0.0
Zn1 Zn+2 0 0 0.77004 0.5 0.0
S1 S-2 0 0 0.1256 1 0.0
In2 In+3 0 0 0 1 0.0
