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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/2/31/06/2310663.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_2310663
loop_
_publ_author_name
'Selte, K.'
'Kjekshus, A.'
_publ_section_title
;
 The crystal structures of Nb3 Se4 and Nb3 Te4
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              1568
_journal_page_last               1572
_journal_volume                  17
_journal_year                    1964
_chemical_formula_sum            'Nb3 Te4'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.671
_cell_length_b                   10.671
_cell_length_c                   3.6468
_cell_volume                     359.627
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Selte_ACCRA9_1964_177.cif
_cod_data_source_block           Nb3Te4
_cod_original_cell_volume        359.6274
_cod_database_code               2310663
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-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
Te2 Te 0.3389 0.2731 0.25 1 0.0
Nb1 Nb 0.4886 0.1039 0.25 1 0.0
Te1 Te 0.6667 0.3333 0.75 1 0.0
