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#$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $
#$Revision: 255 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9006873.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9006873
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 = 0.45
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              583
_journal_page_last               589
_journal_volume                  27
_journal_year                    2000
_chemical_formula_sum            '(Sr.1 Na.45 La.45) Ti O3'
_chemical_name_mineral           Loparite
_symmetry_space_group_name_H-M   'R -3 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.4855
_cell_length_b                   5.4855
_cell_length_c                   13.440
_cell_volume                     350.237
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
x,x-y,1/2+z
2/3+x,1/3+x-y,5/6+z
1/3+x,2/3+x-y,1/6+z
y,x,1/2-z
2/3+y,1/3+x,5/6-z
1/3+y,2/3+x,1/6-z
-x+y,y,1/2+z
2/3-x+y,1/3+y,5/6+z
1/3-x+y,2/3+y,1/6+z
-x,-x+y,1/2-z
2/3-x,1/3-x+y,5/6-z
1/3-x,2/3-x+y,1/6-z
-y,-x,1/2+z
2/3-y,1/3-x,5/6+z
1/3-y,2/3-x,1/6+z
x-y,-y,1/2-z
2/3+x-y,1/3-y,5/6-z
1/3+x-y,2/3-y,1/6-z
y,-x+y,-z
2/3+y,1/3-x+y,1/3-z
1/3+y,2/3-x+y,2/3-z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
-x,-y,-z
2/3-x,1/3-y,1/3-z
1/3-x,2/3-y,2/3-z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
x-y,x,-z
2/3+x-y,1/3+x,1/3-z
1/3+x-y,2/3+x,2/3-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
SrA 0.00000 0.00000 0.25000 0.10000
NaA 0.00000 0.00000 0.25000 0.45000
LaA 0.00000 0.00000 0.25000 0.45000
Ti 0.00000 0.00000 0.00000 1.00000
O 0.53500 0.00000 0.25000 1.00000