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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/9/01/64/9016431.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_9016431
loop_
_publ_author_name
'Archaimbault, F.'
'Choisnet, J.'
'Rulmont, A.'
'Tarte, P.'
_publ_section_title
;
 Lithium defect and ordering phenomena in the new LiNbO3 like mixed
 tellurates: Li2-x(Zr⁴⁺,Nb⁵⁺,Te⁶⁺)2O6 (x<0.5)
 _cod_database_code 1001505
;
_journal_name_full               'Materials Chemistry and Physics'
_journal_page_first              245
_journal_page_last               252
_journal_paper_doi               10.1016/0254-0584(92)90232-W
_journal_volume                  30
_journal_year                    1992
_chemical_formula_sum            'Li0.875 Nb0.875 O3 Te0.125'
_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                   5.148
_cell_length_b                   5.148
_cell_length_c                   13.763
_cell_formula_units_Z            6
_cell_volume                     315.879
_database_code_amcsd             0014207
_exptl_crystal_density_diffrn    4.773
_cod_duplicate_entry             1001505
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_original_formula_sum        'Li.875 (Nb.875 Te.125) O3'
_cod_database_code               9016431
_amcsd_formula_title             'Li1.75 Nb1.75 O6 Te0.25'
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
Li1 0.00000 0.00000 0.29000 0.87500
Nb1 0.00000 0.00000 0.98400 0.87500
Te1 0.00000 0.00000 0.98400 0.12500
O1 0.06300 0.36900 0.68300 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014207
