data_global
_amcsd_formula_title 'LiNb3O8'
loop_
_publ_author_name
'Gatehouse B M'
'Leverett P'
_journal_name_full 'Crystal Structure Communications'
_journal_volume 1 
_journal_year 1972
_journal_page_first 83
_journal_page_last 86
_publ_section_title
;
 Lithium triniobate(V), LiNb3O8
 Note: isostructural with lithiotantite
;
_database_code_amcsd 0017479
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Li Nb3 O8'
_cell_length_a 7.459
_cell_length_b 5.034
_cell_length_c 15.270
_cell_angle_alpha 90
_cell_angle_beta 107.33
_cell_angle_gamma 90
_cell_volume 547.339
_exptl_crystal_density_diffrn      5.020
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+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_U_iso_or_equiv
Li   0.23810   0.23170   0.07650   0.03736
Nb1   0.49156   0.23019   0.33157   0.00709
Nb2   0.74905   0.24547   0.07491   0.00760
Nb3   0.98323   0.24198   0.33549   0.00709
O1   0.99970   0.05920   0.09790   0.00342
O2   0.41470   0.06800   0.21780   0.00304
O3   0.76340   0.09870   0.34440   0.00380
O4   0.53710   0.42020   0.10060   0.00557
O5   0.91200   0.41260   0.21480   0.00329
O6   0.64600   0.39580   0.46090   0.00203
O7   0.14670   0.06430   0.45130   0.00228
O8   0.27740   0.41490   0.34450   0.00279