#------------------------------------------------------------------------------
#$Date: 2024-05-02 12:48:35 +0200 (Thu 02 de May de 2024) $
#$Revision: 291455 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/66/9006639.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_9006639
loop_
_publ_author_name
'Mitchell, R. H.'
'Chakhmouradian, A. R.'
_publ_section_title
;
 Solid solubility in the system NaLREETi2O6 - ThTi2O6
 (LREE, light rare-earth elements): experimental and analytical data
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              396
_journal_page_last               405
_journal_paper_doi               10.1007/s002690050200
_journal_volume                  26
_journal_year                    1999
_chemical_formula_sum            'O6 Th Ti2'
_chemical_name_mineral           Thorutite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 118.82
_cell_angle_gamma                90
_cell_length_a                   9.8140
_cell_length_b                   3.8228
_cell_length_c                   7.0313
_cell_formula_units_Z            2
_cell_volume                     231.119
_database_code_amcsd             0008221
_exptl_crystal_density_diffrn    6.090
_cod_original_formula_sum        'Th Ti2 O6'
_cod_database_code               9006639
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Th 0.00000 0.00000 0.00000 0.01026
Ti 0.82360 0.00000 0.39480 0.00988
O1 0.98000 0.00000 0.31500 0.00760
O2 0.66000 0.00000 0.11500 0.02026
O3 0.28300 0.00000 0.41000 0.01520
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0008221
