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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/62/2106208.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_2106208
loop_
_publ_author_name
'Hogg, J.H.C.'
_publ_section_title
;
 The crystal structure of In6 Se7
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1630
_journal_page_last               1634
_journal_volume                  27
_journal_year                    1971
_chemical_formula_sum            'In6 Se7'
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.34
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.43
_cell_length_b                   4.063
_cell_length_c                   18.378
_cell_volume                     664.402
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Hogg_ACBCAR_1971_83.cif
_cod_data_source_block           In6Se7
_cod_database_code               2106208
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,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
Se4 Se 0.4651 0.7595 0.908 1 0.0
Se5 Se 0.0651 0.2538 0.8204 1 0.0
Se1 Se 0.1693 0.7458 0.0065 1 0.0
Se7 Se 0.3631 0.7412 0.5329 1 0.0
In3 In 0.4105 0.7658 0.3954 1 0.0
In4 In 0.1363 0.2474 0.4662 1 0.0
Se6 Se 0.0629 0.2438 0.5926 1 0.0
Se2 Se 0.219 0.2414 0.341 1 0.0
In1 In 0.0569 0.2564 0.1241 1 0.0
In2 In 0.3662 0.2579 0.1871 1 0.0
Se3 Se 0.5132 0.7523 0.2732 1 0.0
In5 In 0.2031 0.7408 0.7284 1 0.0
In6 In 0.3056 0.2588 0.9529 1 0.0
