#------------------------------------------------------------------------------
#$Date: 2015-10-14 12:18:47 +0300 (Wed, 14 Oct 2015) $
#$Revision: 168192 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/93/1539323.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_1539323
loop_
_publ_author_name
'Terao, N.'
_publ_section_title
;
 New phase of niobium nitride
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              159
_journal_page_last               169
_journal_volume                  23
_journal_year                    1971
_chemical_formula_sum            'N5 Nb4'
_chemical_name_systematic        'Nb4 N5'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.873
_cell_length_b                   6.873
_cell_length_c                   4.298
_cell_volume                     203.029
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Terao_JCOMAH_1971_1192.cif
_cod_data_source_block           N5Nb4
_cod_original_cell_volume        203.0295
_cod_database_code               1539323
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-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
N2 N-2 0 0 0.5 1 0.0
N1 N-2 0.1 0.3 0 1 0.0
Nb1 Nb+2 0.4 0.2 0 1 0.0
