#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/59/1535987.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_1535987
loop_
_publ_author_name
'Niewa, R.'
'Zherebtsov, D.A.'
'Borrmann, H.'
'Kniep, R.'
_publ_section_title
;
 Preparation and crystal structure of Li4 (Ta N3)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2505
_journal_page_last               2508
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'Li4 N3 Ta'
_chemical_name_systematic        'Li4 (Ta N3)'
_space_group_IT_number           73
_symmetry_space_group_name_Hall  '-I 2b 2c'
_symmetry_space_group_name_H-M   'I b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   4.915
_cell_length_b                   9.731
_cell_length_c                   14.145
_cell_volume                     676.525
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Niewa_ZAACAB_2002_703.cif
_cod_data_source_block           Li4N3Ta1
_cod_original_cell_volume        676.5251
_cod_original_formula_sum        'Li4 N3 Ta1'
_cod_database_code               1535987
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y+1/2,z
x,-y,-z+1/2
-x,y+1/2,-z+1/2
-x,-y,-z
x,y-1/2,-z
-x,y,z-1/2
x,-y-1/2,z-1/2
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1,z+1/2
x+1/2,-y+1/2,-z+1
-x+1/2,y+1,-z+1
-x+1/2,-y+1/2,-z+1/2
x+1/2,y,-z+1/2
-x+1/2,y+1/2,z
x+1/2,-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
Li1 Li+1 0.5211 0.4631 0.0847 1 0.0
Ta1 Ta+5 0 0.25 0.08079 1 0.0
N2 N-3 0.1807 0.1249 0.1628 1 0.0
N1 N-3 0.25 0.3634 0 1 0.0
Li3 Li+1 0.4039 0 0.25 1 0.0
Li2 Li+1 0 0.25 0.2692 1 0.0
