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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/1/52/88/1528855.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_1528855
loop_
_publ_author_name
'Schilling, H.'
'Stork, A.'
'Lerch, M.'
'Irran, E.'
'Bredow, T.'
'Dronskowski, R.'
'Wolff, H.'
_publ_section_title
;
 gamma-Ta O N: A metastable polymorph of tantalum oxynitride
;
_journal_name_full               'Angewandte Chemie (Edition international)'
_journal_page_first              2931
_journal_page_last               2934
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'N O Ta'
_chemical_name_systematic        'Ta O N'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.413
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.9862
_cell_length_b                   3.8909
_cell_length_c                   6.7254
_cell_volume                     324.248
_citation_journal_id_ASTM        ACIEAY
_cod_data_source_file            Schilling_ACIEAY_2007_1292.cif
_cod_data_source_block           N1O1Ta1
_cod_original_cell_volume        324.2479
_cod_original_formula_sum        'N1 O1 Ta1'
_cod_database_code               1528855
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,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
O2 O-2 0.1347 0 0.2109 1 0.0
O1 O-2 0.3586 0 0.4931 1 0.0
Ta2 Ta+5 0.6024 0 0.2063 1 0.0
Ta1 Ta+5 0.311 0 0.1942 1 0.0
N2 N-3 0.7586 0 0.1475 1 0.0
N1 N-3 0.4458 0 0.1372 1 0.0
