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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/9/01/64/9016459.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_9016459
loop_
_publ_author_name
'Crosnier, M.'
'Delarue, E.'
'Choisnet, J.'
'Fourquet, J.'
_publ_section_title
;
 Li⁺-H⁺ exchange on Li2TiTeO6
 _cod_database_code 1000335
;
_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            'O6 Te Ti'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.0098
_cell_length_b                   4.7020
_cell_length_c                   8.6118
_cell_formula_units_Z            2
_cell_volume                     202.860
_database_code_amcsd             0012627
_exptl_crystal_density_diffrn    4.444
_cod_duplicate_entry             1000335
_cod_original_formula_sum        'Ti Te O6'
_cod_database_code               9016459
_amcsd_formula_title             'H1.68 Li0.32 O6 Te Ti'
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
x,y,-z
-x,-y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ti1 0.00000 0.00000 0.36200 0.18800
Ti2 0.00000 0.50000 0.29750 0.31200
Te1 0.00000 0.00000 0.00000 1.00000
O1 0.18300 0.22500 0.16570 1.00000
O2 0.31200 0.74900 0.00000 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012627
