#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/66/1526649.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_1526649
loop_
_publ_author_name
'Smith, M.D.'
'Miller, G.J.'
_publ_section_title
;
 Tantalum-niobium mixing in Ta3-x Nbx Te I7 (0 <= x <= 3)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              94
_journal_page_last               102
_journal_volume                  626
_journal_year                    2000
_chemical_formula_sum            'I7 Nb2.14 Ta0.86 Te'
_chemical_name_systematic        '(Ta0.86 Nb2.14) Te I7'
_space_group_IT_number           156
_symmetry_space_group_name_Hall  'P 3 -2"'
_symmetry_space_group_name_H-M   'P 3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   7.622
_cell_length_b                   7.622
_cell_length_c                   6.902
_cell_volume                     347.251
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Smith_ZAACAB_2000_804.cif
_cod_data_source_block           I7Nb2.14Ta0.86Te1
_cod_original_formula_sum        'I7 Nb2.14 Ta0.86 Te1'
_cod_database_code               1526649
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,z
x,x-y,z
-x+y,y,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
Te1 Te-2 0.3333 0.6667 0.5477 1 0.0
I1 I-1 0.6667 0.3333 0.0368 1 0.0
Nb1 Nb+3 0.46638 0.53362 0.25 0.714 0.0
Ta1 Ta+3 0.46638 0.53362 0.25 0.286 0.0
I2 I-1 0.16386 0.83614 -0.0155 1 0.0
I3 I-1 0.83472 0.16528 0.4723 1 0.0
