The crystal structure described by LiBaTi2Bi2O crystallizes in the orthorhombic Pmmm space group. Li(1) is bonded to two equivalent Ba(1) and four equivalent Bi(1) atoms to form LiBa2Bi4 octahedra that share corners with two equivalent Li(1)Ba2Bi4 octahedra, corners with four equivalent Ti(2)Bi4O2 octahedra, edges with two equivalent Li(1)Ba2Bi4 octahedra, and edges with two equivalent Ti(2)Bi4O2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Ba(1) is bonded in a linear geometry to two equivalent Li(1) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a linear geometry to two equivalent O(1) atoms. In the second Ti site, Ti(2) is bonded to four equivalent Bi(1) and two equivalent O(1) atoms to form distorted TiBi4O2 octahedra that share corners with two equivalent Ti(2)Bi4O2 octahedra, corners with four equivalent Li(1)Ba2Bi4 octahedra, edges with two equivalent Li(1)Ba2Bi4 octahedra, and edges with two equivalent Ti(2)Bi4O2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Bi(1) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Ti(2) atoms. O(1) is bonded in a square co-planar geometry to two equivalent Ti(1) and two equivalent Ti(2) atoms. is represented by the CIF card [CIF]
data_BaLiTi2Bi2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.943
_cell_length_b   4.915
_cell_length_c   8.216
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   159.219
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.500  0.500  0.500  1.0
  Li  Li1  1  0.500  0.000  0.500  1.0
  Ti  Ti2  1  0.000  0.500  0.000  1.0
  Ti  Ti3  1  0.500  0.000  0.000  1.0
  Bi  Bi4  1  0.000  0.000  0.257  1.0
  Bi  Bi5  1  0.000  0.000  0.743  1.0
  O  O6  1  0.500  0.500  0.000  1.0
[/CIF]
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The crystal structure described by LiBaTi2Bi2O crystallizes in the orthorhombic Pmmm space group. Li(1) is bonded to two equivalent Ba(1) and four equivalent Bi(1) atoms to form LiBa2Bi4 octahedra that share corners with two equivalent Li(1)Ba2Bi4 octahedra, corners with four equivalent Ti(2)Bi4O2 octahedra, edges with two equivalent Li(1)Ba2Bi4 octahedra, and edges with two equivalent Ti(2)Bi4O2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Ba(1) is bonded in a linear geometry to two equivalent Li(1) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a linear geometry to two equivalent O(1) atoms. In the second Ti site, Ti(2) is bonded to four equivalent Bi(1) and two equivalent O(1) atoms to form distorted TiBi4O2 octahedra that share corners with two equivalent Ti(2)Bi4O2 octahedra, corners with four equivalent Li(1)Ba2Bi4 octahedra, edges with two equivalent Li(1)Ba2Bi4 octahedra, and edges with two equivalent Ti(2)Bi4O2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Bi(1) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Ti(2) atoms. O(1) is bonded in a square co-planar geometry to two equivalent Ti(1) and two equivalent Ti(2) atoms. is represented by the CIF card [CIF]
data_BaLiTi2Bi2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.943
_cell_length_b   4.915
_cell_length_c   8.216
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   159.219
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.500  0.500  0.500  1.0
  Li  Li1  1  0.500  0.000  0.500  1.0
  Ti  Ti2  1  0.000  0.500  0.000  1.0
  Ti  Ti3  1  0.500  0.000  0.000  1.0
  Bi  Bi4  1  0.000  0.000  0.257  1.0
  Bi  Bi5  1  0.000  0.000  0.743  1.0
  O  O6  1  0.500  0.500  0.000  1.0
[/CIF]
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