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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/8/10/45/8104518.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_8104518
loop_
_publ_author_name
'Trah, H.P.'
'Kraemer, V.'
_publ_section_title
;
 Crystal structure of zinc indium selenide, Zn In2 Se4
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              199
_journal_page_last               203
_journal_volume                  173
_journal_year                    1985
_chemical_formula_sum            'In2 Se4 Zn'
_chemical_name_systematic        'Zn In2 Se4'
_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                   5.7095
_cell_length_b                   5.7095
_cell_length_c                   11.449
_cell_volume                     373.219
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Trah_ZEKRDZ_1985_1357.cif
_cod_data_source_block           In2Se4Zn1
_cod_original_formula_sum        'In2 Se4 Zn1'
_cod_database_code               8104518
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
Se1 Se-2 0.2302 0.2302 0.3841 1 0.0
In1 In+3 0 0 0 0.6667 0.0
Zn1 Zn+2 0 0 0 0.3333 0.0
Zn2 Zn+2 0 0.5 0.25 0.3333 0.0
In2 In+3 0 0.5 0.25 0.6667 0.0
