data_global
_chemical_name_mineral 'Tantalaeschynite-(Nd)'
loop_
_publ_author_name
'Thorogood G J'
'Avdeev M'
'Kennedy B J'
_journal_name_full 'Solid State Sciences'
_journal_volume 12 
_journal_year 2010
_journal_page_first 1263
_journal_page_last 1269
_publ_section_title
;
 Structural studies of the aeschynite-euxenite transformation in
 the series Ln(TiTa)O6 Ln = lanthanide
;
_database_code_amcsd 0018926
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Nd (Ta Ti) O6'
_cell_length_a 10.9771
_cell_length_b 7.5051
_cell_length_c 5.3602
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 441.596
_exptl_crystal_density_diffrn      7.055
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-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
Nd   0.45600   0.75000   0.04340   1.00000   0.00266
Ta   0.64320   0.50560   0.45810   0.50000   0.00760
Ti   0.64320   0.50560   0.45810   0.50000   0.00760
O1   0.47450   0.46480   0.26570   1.00000   0.00329
O2   0.28840   0.94280   0.86930   1.00000   0.00545
O3   0.35820   0.75000   0.44920   1.00000   0.00241
O4   0.62350   0.75000   0.33830   1.00000   0.00443