#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/03/2310357.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_2310357
loop_
_publ_author_name
'Brown, B.E.'
_publ_section_title
;
 The crystal structures of Nb Te2 and Ta Te2
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              264
_journal_page_last               267
_journal_volume                  20
_journal_year                    1966
_chemical_formula_sum            'Nb Te2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 134.58
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   19.39
_cell_length_b                   3.642
_cell_length_c                   9.375
_cell_volume                     471.557
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Brown_ACCRA9_1966_1116.cif
_cod_data_source_block           Nb1Te2
_cod_original_cell_volume        471.5571
_cod_original_formula_sum        'Nb1 Te2'
_cod_database_code               2310357
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-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
Te2 Te-2 0.297 0 0.2148 1 0.0
Te3 Te-2 0.4961 0.5 0.302 1 0.0
Te1 Te-2 0.1497 0.5 0.2898 1 0.0
Nb2 Nb+4 0.1397 0.5 -0.0118 1 0.0
Nb1 Nb+4 0 0 0 1 0.0
