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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/9/01/63/9016373.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_9016373
loop_
_publ_author_name
'Crosnier, M.'
'Delarue, E.'
'Choisnet, J.'
'Fourquet, J.'
_publ_section_title
;
 Li⁺-H⁺ exchange on Li2TiTeO6
 _cod_database_code 1000336
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              321
_journal_page_last               332
_journal_volume                  39
_journal_year                    1992
_chemical_formula_sum            'O3 Te0.5 Ti0.5'
_space_group_IT_number           102
_symmetry_space_group_name_Hall  'P 4n -2n'
_symmetry_space_group_name_H-M   'P 42 n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.6861
_cell_length_b                   4.6861
_cell_length_c                   8.8707
_cell_formula_units_Z            4
_cell_volume                     194.796
_database_code_amcsd             0012628
_exptl_crystal_density_diffrn    4.628
_cod_duplicate_entry             1000336
_cod_original_formula_sum        '(Te.5 Ti.5) O3'
_cod_database_code               9016373
_amcsd_formula_title             'H1.68 Li0.32 O6 Te Ti'
loop_
_space_group_symop_operation_xyz
x,y,z
-y,-x,z
1/2-y,1/2+x,1/2+z
1/2+x,1/2-y,1/2+z
-x,-y,z
y,x,z
1/2+y,1/2-x,1/2+z
1/2-x,1/2+y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Te1 0.00000 0.00000 0.00000 0.88500
Ti1 0.00000 0.00000 0.00000 0.11500
Te2 0.00000 0.00000 0.34810 0.11500
Ti2 0.00000 0.00000 0.34810 0.88500
O1 0.29100 0.29100 0.02800 1.00000
O2 0.30000 0.30000 0.35100 1.00000
O3 0.30700 0.30700 0.67400 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012628
