#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/54/1525454.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_1525454
loop_
_publ_author_name
'Weishaupt, M.'
'Straehle, J.'
_publ_section_title
;
 Darstellung der Oxidnitride V O N, Nb O N und Ta O N. Die
 Kristallstruktur von Nb O N und Ta O N
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              261
_journal_page_last               269
_journal_volume                  429
_journal_year                    1977
_chemical_formula_sum            'N O Ta'
_chemical_name_systematic        'Ta N O'
_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                 99.56
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.968
_cell_length_b                   5.037
_cell_length_c                   5.185
_cell_volume                     127.947
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Weishaupt_ZAACAB_1977_1693.cif
_cod_data_source_block           N1O1Ta1
_cod_original_cell_volume        127.9466
_cod_original_formula_sum        'N1 O1 Ta1'
_cod_database_code               1525454
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 0.065 0.3331 0.3439 1 0.0
Ta1 Ta+5 0.2921 0.044 0.215 1 0.0
N1 N-3 0.4425 0.7529 0.4819 1 0.0
