#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/63/2106380.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_2106380
loop_
_publ_author_name
'Likforman, A.'
'Hillel, R.'
'Carre, D.'
_publ_section_title
;
 Structure cristalline du seleniure d'indium In2 Se3
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1
_journal_page_last               5
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'In2 Se3'
_space_group_IT_number           169
_symmetry_space_group_name_Hall  'P 61'
_symmetry_space_group_name_H-M   'P 61'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   7.11
_cell_length_b                   7.11
_cell_length_c                   19.34
_cell_volume                     846.694
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Likforman_ACBCAR_1978_811.cif
_cod_data_source_block           In2Se3
_cod_original_cell_volume        846.6937
_cod_database_code               2106380
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/6
-y,x-y,z+1/3
-x,-y,z+1/2
-x+y,-x,z+2/3
y,-x+y,z+5/6
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 0.6858 -0.0111 0.13845 1 0.0
Se1 Se-2 0.3026 -0.0437 0.1348 1 0.0
Se3 Se-2 0.7258 0.653 0.1582 1 0.0
In2 In+3 0.3416 0.326 0.1663 1 0.0
Se2 Se-2 0.025 0.3646 0.1235 1 0.0
