data_global
_chemical_name_mineral 'Lueshite'
loop_
_publ_author_name
'von der Muhll R'
'Sadel A'
'Hagenmuller P'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 51 
_journal_year 1984
_journal_page_first 176
_journal_page_last 182
_publ_section_title
;
 Structure cristalline a 295K de la phase ferroelectrique Li0.02Na0.98NbO3
 Note: x(O3) corrected to match reported bond lengths
 Note: this is a polymorph of lueshite
;
_database_code_amcsd 0013521
_chemical_compound_source 'Synthetic'
_chemical_formula_sum '(Li.02 Na.98) Nb O3'
_cell_length_a 5.494
_cell_length_b 15.461
_cell_length_c 5.551
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 471.517
_exptl_crystal_density_diffrn      4.608
_symmetry_space_group_name_H-M 'P c 21 b'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,y,1/2+z'
  'x,1/2+y,1/2-z'
  '-x,1/2+y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Li1   0.24380   0.12040   0.71490   0.02000
Na1   0.24380   0.12040   0.71490   0.98000
Li2   0.24150   0.37280   0.77320   0.02000
Na2   0.24150   0.37280   0.77320   0.98000
Nb1   0.25650   0.00000   0.22320   1.00000
Nb2   0.25400   0.25020   0.22920   1.00000
O1   0.45900   0.00540   0.55060   1.00000
O2   0.03270  -0.01320  -0.01860   1.00000
O3  -0.03710   0.26450   0.03580   1.00000
O4   0.53640   0.22990   0.46030   1.00000
O5   0.31240  -0.12730   0.27380   1.00000
O6   0.18710   0.12290   0.26490   1.00000
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
Li1 0.00025 0.01622 0.00291 0.01558 0.00291 0.01292
Na1 0.01241 0.01622 0.00291 0.01558 0.00291 0.01292
Li2 0.00025 0.01014 0.00304 0.00709 0.00000 0.00000
Na2 0.01241 0.01014 0.00304 0.00709 0.00000 0.00000
Nb1 0.00304 0.00481 0.00051 0.00089 -0.00114 0.00000
Nb2 0.00608 0.00380 0.00443 0.00000 0.00304 0.00000
O1 0.01393 0.04432 0.00127 0.00633 0.00000 0.00760
O2 0.02026 0.04053 0.01013 0.00190 0.01393 0.00000
O3 0.00253 0.00506 0.00127 0.00000 0.00000 0.00127
O4 0.00127 0.00127 0.00127 0.00000 -0.00025 0.00000
O5 0.01013 0.00506 0.00127 0.00000 0.00000 0.00127
O6 0.01267 0.00253 0.00760 0.00000 0.00000 0.00000