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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/9/9004548.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_9004548
_chemical_name 'Loparite-(Ce)'
loop_
_publ_author_name
'Mitchell R H'
'Burns P C'
'Chakhmouradian A R'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 38
_journal_year 2000
_journal_page_first 145
_journal_page_last 152
_publ_section_title
;
 The crystal structures of loparite-(Ce)
 Sample: Loparite L
;
_chemical_formula_sum 'Na.46 La.09 Ce.18 Pr.02 Nd.05 Ca.13 Sr.05 (Ti.87 Nb.13) O
_cell_length_a 5.5022
_cell_length_b 5.5084
_cell_length_c 7.7767
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 235.699
_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
_atom_site_Uiso_or_equiv
Na   0.00000   0.50000   0.25000   0.46000   0.01970
La   0.00000   0.50000   0.25000   0.09000   0.01970
Ce   0.00000   0.50000   0.25000   0.18000   0.01970
Pr   0.00000   0.50000   0.25000   0.02000   0.01970
Nd   0.00000   0.50000   0.25000   0.05000   0.01970
Ca   0.00000   0.50000   0.25000   0.13000   0.01970
Sr   0.00000   0.50000   0.25000   0.05000   0.01970
Ti   0.00000   0.00000   0.00000   0.87000   0.01220
Nb   0.00000   0.00000   0.00000   0.13000   0.01220
O1   0.00000   0.00000   0.25000   1.00000   0.06410
O2   0.28280   0.78280   0.00000   1.00000   0.04380