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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/36/7223682.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_7223682
loop_
_publ_author_name
'Paashaus, S.'
'Kniep, R.'
_publ_section_title
;
 Gemischtvalente Telluridhalogenide des Aluminiums, Galliums und Indiums:
 Verbindungen E3 Te3 Hal auf Gehaltsschnitten E Te - E Te Hal
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              667
_journal_page_last               678
_journal_volume                  45
_journal_year                    1990
_chemical_formula_sum            'I In3 Te3'
_chemical_name_systematic        'In3 Te3 I'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.641
_cell_length_b                   4.302
_cell_length_c                   19.974
_cell_volume                     1000.290
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Paashaus_ZNBSEN_1990_1318.cif
_cod_data_source_block           I1In3Te3
_cod_original_cell_volume        1000.29
_cod_original_formula_sum        'I1 In3 Te3'
_cod_database_code               7223682
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
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
Te3 Te-2 0.159 0.25 0.49328 1 0.0
In3 In+2 0.4447 0.75 0.60573 1 0.0
In2 In+2 0.3203 0.75 0.48701 1 0.0
In1 In+3 0.1513 0.25 0.63319 1 0.0
Te2 Te-2 0.5894 0.25 0.64365 1 0.0
I1 I-1 -0.0711 0.25 0.67295 1 0.0
Te1 Te-2 0.2591 0.75 0.69867 1 0.0
