data_global
_chemical_name_mineral 'Lueshite'
loop_
_publ_author_name
'Xu H'
'Su Y'
'Balmer M L'
'Navrotsky A'
_journal_name_full 'Chemistry of Materials'
_journal_volume 15 
_journal_year 2003
_journal_page_first 1872
_journal_page_last 1878
_publ_section_title
;
 A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x
 system: synthesis, crystal chemistry, and energetics
 Note: x = 0.2
;
_database_code_amcsd 0018691
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Na (Nb.8 Ti.2) O2.9'
_cell_length_a 5.5303
_cell_length_b 15.5677
_cell_length_c 5.5072
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 474.137
_exptl_crystal_density_diffrn      4.295
_symmetry_space_group_name_H-M 'P b m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '1/2+x,y,-z'
  '1/2-x,-y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-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
Na1   0.75000   0.00000   0.24200   1.00000   0.01400
Na2   0.74500   0.25000   0.25600   1.00000   0.01400
Nb1   0.26020   0.12570   0.23940   0.80000   0.00580
Ti1   0.26020   0.12570   0.23940   0.20000   0.00580
O1   0.25000   0.00000   0.26730   0.93330   0.00870
O2   0.25160   0.25000   0.17240   1.00000   0.00870
O3   0.05550   0.13660   0.53900   0.93330   0.00870
O4   0.48900   0.10770  -0.02540   1.00000   0.00870