#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/27/1532736.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_1532736
loop_
_publ_author_name
'Niewa, R.'
'Schnelle, W.'
'Huang, Z.-L.'
'Hu, Z.'
'Kniep, R.'
_publ_section_title
;
 Preparation, crystallographic, spectroscopic and magnetic
 characterization of low-valency nitridometalates Li2 ((Li1-x Mx) N)with M
 = Cu, Ni
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1778
_journal_page_last               1786
_journal_volume                  629
_journal_year                    2003
_chemical_formula_sum            'Li2.15 N Ni0.85'
_chemical_name_systematic        'Li2 ((Li0.15 Ni0.85) N)'
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.77194
_cell_length_b                   3.77194
_cell_length_c                   3.52147
_cell_volume                     43.389
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Niewa_ZAACAB_2003_1079.cif
_cod_data_source_block           Li2.15N1Ni0.85
_cod_original_cell_volume        43.38945
_cod_original_formula_sum        'Li2.15 N1 Ni0.85'
_cod_database_code               1532736
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z
-y,x-y,z
-x,-y,z
-x+y,-x,z
y,-x+y,z
-y,-x,-z
x-y,-y,-z
x,x-y,-z
y,x,-z
-x+y,y,-z
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z
y,-x+y,-z
x,y,-z
x-y,x,-z
-y,x-y,-z
y,x,z
-x+y,y,z
-x,-x+y,z
-y,-x,z
x-y,-y,z
x,x-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
Li2 Li+1 0.3333 0.6667 0 1 0.0
Li1 Li+1 0 0 0.5 0.147 0.0
N1 N-3 0 0 0 1 0.0
Ni1 Ni+1 0 0 0.5 0.853 0.0
