#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/40/1534084.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_1534084
loop_
_publ_author_name
'Lumey, M.W.'
'Dronskowski, R.'
_publ_section_title
;
 The electronic structure of tantalum oxynitride and the falsification of
 alpha-(Ta O N)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2173
_journal_page_last               2179
_journal_volume                  629
_journal_year                    2003
_chemical_formula_sum            'N O Ta'
_chemical_name_systematic        'Ta O N'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.8
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.99
_cell_length_b                   5.05
_cell_length_c                   5.2
_cell_volume                     129.125
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Lumey_ZAACAB_2003_1095.cif
_cod_data_source_block           N1O1Ta1
_cod_original_cell_volume        129.1253
_cod_original_formula_sum        'N1 O1 Ta1'
_cod_database_code               1534084
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-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
O1 O-2 0.063 0.328 0.346 1 0.0
Ta1 Ta+5 0.294 0.046 0.215 1 0.0
N1 N-3 0.442 0.744 0.481 1 0.0
