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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9006868.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_9006868
_chemical_name 'Tausonite'
loop_
_publ_author_name
'Mitchell R H'
'Chakhmouradian A R'
'Woodward P M'
_journal_name_full "Physics and Chemistry of Minerals"
_journal_volume 27
_journal_year 2000
_journal_page_first 583
_journal_page_last 589
_publ_section_title
;
 Crystal chemistry of perovskite-type compounds in the
 tausonite-loparite series, (Sr1-2xNaxLax)TiO3
 Sample: x = 0.20
;
_chemical_formula_sum '(Sr.6 Na.2 La.2) Ti O3'
_cell_length_a 5.5073
_cell_length_b 5.5073
_cell_length_c 7.8018
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 236.631
_symmetry_space_group_name_H-M 'I 4/m c m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '-y,-x,1/2+z'
  '1/2-y,1/2-x,+z'
  'y,x,1/2-z'
  '1/2+y,1/2+x,-z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-y,x,z'
  '1/2-y,1/2+x,1/2+z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,-z'
  'x,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  'y,x,1/2+z'
  '1/2+y,1/2+x,+z'
  '-y,-x,1/2-z'
  '1/2-y,1/2-x,-z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  'y,-x,z'
  '1/2+y,1/2-x,1/2+z'
  '-x,y,1/2+z'
  '1/2-x,1/2+y,+z'
  'x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
SrA   0.00000   0.50000   0.25000   0.60000
NaA   0.00000   0.50000   0.25000   0.20000
LaA   0.00000   0.50000   0.25000   0.20000
Ti   0.00000   0.00000   0.00000   1.00000
O1   0.00000   0.00000   0.25000   1.00000
O2   0.23500   0.73500   0.00000   1.00000