#------------------------------------------------------------------------------
#$Date: 2015-07-10 15:53:01 +0300 (Fri, 10 Jul 2015) $
#$Revision: 142485 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/22/1522264.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_1522264
loop_
_publ_author_name
'Yamada, K.'
'Sato, N.'
'Masuda, H.'
'Fujino, T.'
_publ_section_title
;
 Synthesis and crystal structure of a new niobium oxynitride, Nb2 N0.88
 O0.12
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              36
_journal_page_last               42
_journal_volume                  150
_journal_year                    2000
_chemical_formula_sum            'N0.86 Nb2 O0.14'
_chemical_name_systematic        'Nb2 (N0.86 O0.14)'
_space_group_IT_number           162
_symmetry_space_group_name_Hall  '-P 3 2'
_symmetry_space_group_name_H-M   'P -3 1 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.2916
_cell_length_b                   5.2916
_cell_length_c                   4.9987
_cell_volume                     121.216
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Yamada_JSSCBI_2000_1822.cif
_cod_data_source_block           N0.86Nb2O0.14
_cod_original_cell_volume        121.2165
_cod_database_code               1522264
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,-z
x,x-y,-z
-x+y,y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
y,x,z
-x,-x+y,z
x-y,-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
N2 N-3 0 0 0 0.9 0.0
N1 N-3 0.3333 0.6667 0.5 0.84 0.0
O1 O-2 0.3333 0.6667 0.5 0.16 0.0
Nb1 Nb+1 0.333 0 0.248 1 0.0
O2 O-2 0 0 0 0.1 0.0
