data_1000503
_chemical_name_systematic          'Lithium lanthanum niobium titanium oxide'
_chemical_formula_structural       'Li2 La2.25 (Nb1.25 Ti2.75) O13'
_chemical_formula_sum              'La2.25 Li2 Nb1.25 O13 Ti2.75'
_publ_section_title
;
Irreversible electron-induced structural change during HREM imaging in
lithium Ruddlesden-Popper phases in the series Li2 La(x) (Nb(2n-3x)
Ti(3x-n) O(3n-1)) (n = 2,3,4) and Li2 Sr1.5 (Nb(3-x) Fe(x)) O(10-x)
;
loop_
_publ_author_name
  'Crosnier-Lopez, M P'
  'Bhuvanesh, N S P'
  'Duroy, H'
  'Fourquet, J L'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    145
_journal_year                      1999
_journal_page_first                136
_journal_page_last                 149
_cell_length_a                     3.88
_cell_length_b                     3.88
_cell_length_c                     32.39999
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       487.8
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'I 4/m m m'
_symmetry_Int_Tables_number        139
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '-x,y,z'
  'x,-y,z'
  '-y,x,z'
  'y,-x,z'
  'y,x,z'
  '-y,-x,z'
  '-x,-y,-z'
  'x,y,-z'
  'x,-y,-z'
  '-x,y,-z'
  'y,-x,-z'
  '-y,x,-z'
  '-y,-x,-z'
  'y,x,-z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-y,1/2+x,1/2+z'
  '1/2+y,1/2-x,1/2+z'
  '1/2+y,1/2+x,1/2+z'
  '1/2-y,1/2-x,1/2+z'
  '1/2-x,1/2-y,1/2-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2+x,1/2-y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '1/2+y,1/2-x,1/2-z'
  '1/2-y,1/2+x,1/2-z'
  '1/2-y,1/2-x,1/2-z'
  '1/2+y,1/2+x,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Nb5+   5.000
  Ti4+   4.000
  La3+   3.000
  O2-   -2.000
  Li1+   1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Nb1   Nb5+   4 e 0. 0. 0.188 0.3125  0 d
  Ti1   Ti4+   4 e 0. 0. 0.188 0.6875  0 d
  Nb2   Nb5+   4 e 0. 0. 0.058 0.3125  0 d
  Ti2   Ti4+   4 e 0. 0. 0.058 0.6875  0 d
  La1   La3+   2 b 0.5 0.5 0. 0.75  0 d
  La2   La3+   4 e 0.5 0.5 0.123 0.75  0 d
  O1    O2-    4 e 0. 0. 0.244 1.  0 d
  O2    O2-    8 g 0.5 0. 0.188 1.  0 d
  O3    O2-    4 e 0. 0. 0.12 1.  0 d
  O4    O2-    8 g 0.5 0. 0.058 1.  0 d
  O5    O2-    2 a 0. 0. 0. 1.  0 d
  Li1   Li1+   4 d 0.5 0. 0.25 1.  0 d