#------------------------------------------------------------------------------
#$Date: 2015-10-05 14:18:29 +0300 (Mon, 05 Oct 2015) $
#$Revision: 160104 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/38/1533823.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_1533823
loop_
_publ_author_name
'Sulyanov, S.'
'Maximov, B.'
'Hansen, T.'
'Volk, T.'
'Boysen, H.'
'Schneider, J.'
'Rubinina, N.'
_publ_section_title
;
 Neutron and X-ray study of stoichiometric and doped Li Nb O3 : Zn0.08
;
_journal_name_full               'Appl. Phys. A'
_journal_page_first              S1031
_journal_page_last               S1033
_journal_volume                  74
_journal_year                    2002
_chemical_formula_sum            'Li0.94 Nb0.98 O3 Zn0.08'
_chemical_name_systematic        '(Li0.94 Zn0.06) ((Nb0.98 Zn0.02) O3)'
_space_group_IT_number           161
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.1534
_cell_length_b                   5.1534
_cell_length_c                   13.8696
_cell_volume                     318.994
_citation_journal_id_ASTM        APAMFC
_cod_data_source_file            Sulyanov_APAMFC_2002_669.cif
_cod_data_source_block           Li0.94Nb0.98O3Zn0.08
_cod_original_cell_volume        318.9938
_cod_database_code               1533823
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,z+1/2
x,x-y,z+1/2
-x+y,y,z+1/2
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-y+2/3,-x+1/3,z+5/6
x+2/3,x-y+1/3,z+5/6
-x+y+2/3,y+1/3,z+5/6
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-y+1/3,-x+2/3,z+7/6
x+1/3,x-y+2/3,z+7/6
-x+y+1/3,y+2/3,z+7/6
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
Nb1 Nb+5 0 0 0 0.98 0.0
Li1 Li+1 0 0 0.2823 0.94 0.0
O1 O-2 0.0473 0.3432 0.0635 1 0.0
Zn2 Zn+2 0 0 0 0.02 0.0
Zn1 Zn+2 0 0 0.2823 0.06 0.0
