data_global
_chemical_name_mineral 'Lueshite'
loop_
_publ_author_name
'Seidel P'
'Hoffmann W'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 143 
_journal_year 1976
_journal_page_first 444
_journal_page_last 459
_publ_section_title
;
 Verfeinerung der kristallstruktur von NaNbO3
 N. Bestimmung der absoluten konfiguration und des zwillingsgesetzes
 Note T = 84 K
 Note: this is a polymorph of lueshite
;
_database_code_amcsd 0010781
_chemical_formula_sum 'Na Nb O3'
_cell_length_a 7.8147
_cell_length_b 7.8147
_cell_length_c 7.8147
_cell_angle_alpha 89.17
_cell_angle_beta 89.17
_cell_angle_gamma 89.17
_cell_volume 477.091
_exptl_crystal_density_diffrn      4.564
_symmetry_space_group_name_H-M 'R 3 c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+z,1/2+y'
  'z,x,y'
  '1/2+y,1/2+x,1/2+z'
  'y,z,x'
  '1/2+z,1/2+y,1/2+x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Na1   0.00000   0.00000   0.00000
Na2   0.50000   0.50000   0.00000
Nb1   0.25800   0.25800   0.25800
Nb2   0.75800   0.75800   0.25800
O1   0.24300   0.52500   0.30900
O2   0.24300   0.02500   0.80900
O3   0.74300   0.52500   0.80900
O4   0.74300   0.02500   0.30900
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
Na1 0.00420 0.00420 0.00420 -0.00030 -0.00030 -0.00030
Na2 0.00420 0.00420 0.00420 -0.00030 -0.00030 -0.00030
Nb1 0.00370 0.00370 0.00370 0.00010 0.00010 0.00010
Nb2 0.00370 0.00370 0.00370 0.00010 0.00010 0.00010
O1 0.00400 0.00200 0.00400 -0.00100 -0.00100 -0.00100
O2 0.00400 0.00200 0.00400 -0.00100 -0.00100 -0.00100
O3 0.00400 0.00200 0.00400 -0.00100 -0.00100 -0.00100
O4 0.00400 0.00200 0.00400 -0.00100 -0.00100 -0.00100