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#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/65/9016589.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9016589
loop_
_publ_author_name
'Fourquet, J.'
'Le Bail, A.'
'Gillet, P.'
_publ_section_title
;
 LiNbWO6: Crystal structure of its two allotropic forms
 _cod_database_code 1000070
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1163
_journal_page_last               1170
_journal_paper_doi               10.1016/0025-5408(88)90207-3
_journal_volume                  23
_journal_year                    1988
_chemical_formula_sum            'Li0.5 Nb0.5 O3 W0.5'
_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_length_a                   5.1562
_cell_length_b                   5.1562
_cell_length_c                   13.664
_cell_formula_units_Z            6
_cell_volume                     314.607
_database_code_amcsd             0014336
_exptl_crystal_density_diffrn    6.012
_cod_duplicate_entry             1000070
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_original_formula_sum        'Li.5 (Nb.5 W.5) O3'
_cod_database_code               9016589
_amcsd_formula_title             LiNbWO6
loop_
_space_group_symop_operation_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
x,x-y,1/2+z
2/3+x,1/3+x-y,5/6+z
1/3+x,2/3+x-y,1/6+z
-y,-x,1/2+z
2/3-y,1/3-x,5/6+z
1/3-y,2/3-x,1/6+z
-x+y,y,1/2+z
2/3-x+y,1/3+y,5/6+z
1/3-x+y,2/3+y,1/6+z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Li 0.00000 0.00000 0.28700 0.50000
Nb 0.00000 0.00000 0.00000 0.50000
W 0.00000 0.00000 0.00000 0.50000
O 0.03000 0.29500 0.09000 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014336
