data_global
_chemical_name_mineral '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 BM
;
_database_code_amcsd 0005641
_chemical_compound_source 'Bearpaw Mountains, Montana, USA'
_chemical_formula_sum 'Na.31 La.1 Ce.15 Nd.03 Ca.07 Sr.3 Th.01 Ti.94 Nb.05 O3'
_cell_length_a 5.5076
_cell_length_b 5.5076
_cell_length_c 7.7767
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 235.896
_exptl_crystal_density_diffrn      4.939
_symmetry_space_group_name_H-M 'I 4/m c m'
loop_
_space_group_symop_operation_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_U_iso_or_equiv
Na   0.00000   0.50000   0.25000   0.31000   0.01360
La   0.00000   0.50000   0.25000   0.10000   0.01360
Ce   0.00000   0.50000   0.25000   0.15000   0.01360
Nd   0.00000   0.50000   0.25000   0.03000   0.01360
Ca   0.00000   0.50000   0.25000   0.07000   0.01360
Sr   0.00000   0.50000   0.25000   0.30000   0.01360
Th   0.00000   0.50000   0.25000   0.01000   0.01360
Ti   0.00000   0.00000   0.00000   0.94000   0.00730
Nb   0.00000   0.00000   0.00000   0.05000   0.00730
O1   0.00000   0.00000   0.25000   1.00000   0.04040
O2   0.26840   0.76840   0.00000   1.00000   0.02730
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Na 0.01460 0.01460 0.01140 0.00000 0.00000 0.00000
La 0.01460 0.01460 0.01140 0.00000 0.00000 0.00000
Ce 0.01460 0.01460 0.01140 0.00000 0.00000 0.00000
Nd 0.01460 0.01460 0.01140 0.00000 0.00000 0.00000
Ca 0.01460 0.01460 0.01140 0.00000 0.00000 0.00000
Sr 0.01460 0.01460 0.01140 0.00000 0.00000 0.00000
Th 0.01460 0.01460 0.01140 0.00000 0.00000 0.00000
Ti 0.00750 0.00750 0.00670 0.00000 0.00000 0.00000
Nb 0.00750 0.00750 0.00670 0.00000 0.00000 0.00000
O1 0.05540 0.05540 0.01060 0.00000 0.00000 0.00000
O2 0.01690 0.01690 0.04800 0.00190 0.00000 0.00000