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#$Date: 2015-10-10 05:21:27 +0300 (Sat, 10 Oct 2015) $
#$Revision: 164421 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/66/1536633.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_1536633
loop_
_publ_author_name
'Kim, S.-J.'
'Franzen, H.F.'
'Lengauer, W.'
_publ_section_title
;
 Non-stoichiometry and Twinnung in NbN1-x: A Study of Synthesis and
 Structure in a defect NaCl-type Solid
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              193
_journal_page_last               196
_journal_volume                  160
_journal_year                    1990
_chemical_formula_sum            'N0.58 Nb'
_chemical_name_systematic        'Nb N.58'
_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                   4.386
_cell_length_b                   4.386
_cell_length_c                   8.693
_cell_volume                     167.227
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Kim_JCOMAH_1990_1660.cif
_cod_data_source_block           N0.58Nb1
_cod_original_cell_volume        167.2272
_cod_chemical_formula_sum_orig   'N0.58 Nb1'
_cod_database_code               1536633
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
N2 N-3 0 0.5 0.25 0.78 0.0
Nb1 Nb+1 0 0 0.2447 1 0.0
Nb2 Nb+1 0 0.5 0 1 0.0
N1 N-3 0 0 0.5 0.74 0.0