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#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/68/9006865.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_9006865
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 = 0.05
;
_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            'La0.05 Na0.05 O3 Sr0.9 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                   3.90427
_cell_length_b                   3.90427
_cell_length_c                   3.90427
_cell_volume                     59.514
_exptl_crystal_density_diffrn    5.101
_cod_original_formula_sum        '(Sr.9 Na.05 La.05) Ti O3'
_cod_database_code               9006865
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,-x,y
-y,z,-x
x,-y,z
-z,x,-y
y,-z,x
-x,y,-z
x,-z,-y
-z,y,x
y,-x,-z
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z,-y,-x
-y,x,z
x,z,y
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y,x,z
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z,y,x
-y,-x,-z
z,x,-y
-y,-z,x
x,y,-z
-z,-x,y
y,z,-x
-x,-y,z
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-x,y,z
z,-x,-y
-y,z,x
x,-y,-z
-x,z,-y
z,-y,x
-y,x,-z
x,-z,y
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y,-x,z
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z,y,-x
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x,z,-y
-z,-y,x
y,x,-z
-z,-x,-y
y,z,x
-x,-y,-z
z,x,y
-y,-z,-x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
SrA 0.50000 0.50000 0.50000 0.90000
NaA 0.50000 0.50000 0.50000 0.05000
LaA 0.50000 0.50000 0.50000 0.05000
Ti 0.00000 0.00000 0.00000 1.00000
O 0.50000 0.00000 0.00000 1.00000