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#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/44/9014442.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_9014442
loop_
_publ_author_name
'Thorogood, G. J.'
'Avdeev, M.'
'Kennedy, B. J.'
_publ_section_title
;
 Structural studies of the aeschynite-euxenite transformation in
 the series Ln(TiTa)O6 Ln = lanthanide
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1263
_journal_page_last               1269
_journal_paper_doi               10.1016/j.solidstatesciences.2010.02.036
_journal_volume                  12
_journal_year                    2010
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O6 Ta Ti Tm'
_chemical_name_mineral           Tanteuxenite-(Tm)
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   14.5706
_cell_length_b                   5.5339
_cell_length_c                   5.1832
_cell_formula_units_Z            4
_cell_volume                     417.933
_database_code_amcsd             0018929
_exptl_crystal_density_diffrn    7.847
_cod_original_formula_sum        'Tm (Ti Ta) O6'
_cod_database_code               9014442
loop_
_space_group_symop_operation_xyz
x,y,z
x,-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
1/2+x,1/2+y,1/2-z
1/2-x,1/2-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Tm 0.00000 0.23240 0.25000 1.00000 0.01001
Ti 0.16760 0.32350 0.82220 0.50000 0.01267
Ta 0.16760 0.32350 0.82220 0.50000 0.01267
O1 0.90870 0.56370 0.46850 1.00000 0.00912
O2 0.08670 0.09260 0.91680 1.00000 0.00735
O3 0.25900 0.13810 0.65190 1.00000 0.01900
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018929
