#------------------------------------------------------------------------------
#$Date: 2016-01-25 01:40:58 +0100 (Mon, 25 Jan 2016) $
#$Revision: 174979 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/01/05/1010510.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_1010510
loop_
_publ_author_name
'Brauer, G.'
_publ_section_title
;
 Zur Frage der niederen Oxyde von Niob und \"uber ein Niob-Subnitrid
;
_journal_coden_ASTM              ZEELAI
_journal_issue                   7
_journal_name_full
;
 Zeitschrift f\"ur Elektrochemie und angewandte physikalische Chemie
;
_journal_page_first              397
_journal_page_last               402
_journal_paper_doi               10.1002/bbpc.19400460704
_journal_volume                  46
_journal_year                    1940
_chemical_formula_structural     'Nb2 N'
_chemical_formula_sum            'N Nb2'
_chemical_name_systematic        'Niobium nitride (2/1)'
_space_group_IT_number           174
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      174
_symmetry_space_group_name_Hall  'P -6'
_symmetry_space_group_name_H-M   'P -6'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.058
_cell_length_b                   3.058
_cell_length_c                   4.961
_cell_volume                     40.2
_exptl_crystal_density_meas      8.08
_cod_database_code               1010510
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
x,y,-z
-y,x-y,-z
y-x,-x,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Nb1 Nb0 1 a 0. 0. 0. 1. 0 d
Nb2 Nb0 1 d 0.3333 0.6667 0.5 1. 0 d
N1 N0 2 h 0.6667 0.3333 0.25 0.5 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Nb0 0.000
N0 0.000
