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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/2/10/64/2106407.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_2106407
loop_
_publ_author_name
'Norlund Christensen, A.'
'Lebech, B.'
_publ_section_title
;
 A reinvestigation of the structure of epsilon-tantalum nitride
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              261
_journal_page_last               263
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'N Ta'
_chemical_name_systematic        'Ta N'
_space_group_IT_number           189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.196
_cell_length_b                   5.196
_cell_length_c                   2.911
_cell_volume                     68.063
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            NorlundChristensen_ACBCAR_1978_824.cif
_cod_data_source_block           N1Ta1
_cod_original_cell_volume        68.06301
_cod_original_formula_sum        'N1 Ta1'
_cod_database_code               2106407
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+y,-x,-z
-y,x-y,z
x,y,-z
-x+y,-x,z
-y,x-y,-z
y,x,z
x-y,-y,-z
-x,-x+y,z
y,x,-z
x-y,-y,z
-x,-x+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
Ta2 Ta 0.3333 0.6667 0.5 1 0.0
Ta1 Ta 0 0 0 1 0.0
N1 N 0.3928 0 0 1 0.0
