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#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/68/9006864.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_9006864
loop_
_publ_author_name
'Mitchell, R. H.'
'Chakhmouradian, A. R.'
'Woodward, P. M.'
_publ_section_title
;
 Crystal chemistry of perovskite-type compounds in the
 tausonite-loparite series, (Sr1-2xNaxLax)TiO3
 Sample: x = 0.00
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              583
_journal_page_last               589
_journal_paper_doi               10.1007/s002690000103
_journal_volume                  27
_journal_year                    2000
_chemical_formula_sum            'O3 Sr Ti'
_chemical_name_mineral           Tausonite
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.90528
_cell_length_b                   3.90528
_cell_length_c                   3.90528
_cell_formula_units_Z            1
_cell_volume                     59.560
_database_code_amcsd             0008446
_exptl_crystal_density_diffrn    5.116
_cod_original_formula_sum        'Sr Ti O3'
_cod_database_code               9006864
loop_
_space_group_symop_operation_xyz
x,y,z
z,-x,y
-y,z,-x
x,-y,z
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x,-z,-y
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y,-x,-z
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z,-y,-x
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x,z,y
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-y,-x,-z
z,x,-y
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z,x,y
-y,-z,-x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
SrA 0.50000 0.50000 0.50000
Ti 0.00000 0.00000 0.00000
O 0.50000 0.00000 0.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0008446
