#------------------------------------------------------------------------------
#$Date: 2015-07-13 06:22:08 +0200 (Mon, 13 Jul 2015) $
#$Revision: 150008 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/80/1528098.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_1528098
loop_
_publ_author_name
'Straehle, J.'
_publ_section_title
;
 Die Kristallstruktur des Tantal(V)nitrids Ta3 N5
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              47
_journal_page_last               57
_journal_volume                  402
_journal_year                    1973
_chemical_formula_sum            'N5 Ta3'
_chemical_name_systematic        'Ta3 N5'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.893
_cell_length_b                   10.264
_cell_length_c                   10.264
_cell_volume                     410.126
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Straehle_ZAACAB_1973_1938.cif
_cod_data_source_block           N5Ta3
_cod_original_cell_volume        410.1263
_cod_database_code               1528098
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,z
x+1/2,-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
N1 N-3 0 0.7627 0.25 1 0.0
N2 N-3 0 0.047 0.1188 1 0.0
N3 N-3 0 0.3097 0.0732 1 0.0
Ta2 Ta+5 0 0.13429 0.5601 1 0.0
Ta1 Ta+5 0 0.29757 0.25 1 0.0
