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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/1/53/83/1538373.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_1538373
loop_
_publ_author_name
'Norlund Christensen, A.'
'Lehmann, M.S.'
'Hazell, R.G.'
_publ_section_title
;
 An X-Ray and Neutron Diffraction Investigation of the Crystal Structure
 of gamma-Nb N
;
_journal_name_full
'Acta Chemica Scandinavica, Series A: (28,1974-)'
_journal_page_first              111
_journal_page_last               115
_journal_volume                  35
_journal_year                    1981
_chemical_formula_sum            'N0.801 Nb'
_chemical_name_systematic        'Nb N.801'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   4.377
_cell_length_b                   4.377
_cell_length_c                   8.719
_cell_volume                     167.040
_citation_journal_id_ASTM        ACAPCT
_cod_data_source_file            NorlundChristensen_ACAPCT_1981_1335.cif
_cod_data_source_block           N0.801Nb1
_cod_original_cell_volume        167.0397
_cod_original_formula_sum        'N0.801 Nb1'
_cod_database_code               1538373
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,-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
-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
N1 N-3 0 0 0 0.204 0.0
Nb1 Nb+2 0 0.5 0 1 0.0
N2 N-3 0 0 0.5 1 0.0
Nb2 Nb+2 0 0 0.2447 1 0.0
N3 N-3 0 0.5 0.25 1 0.0
