The material described by LiSbO3 is Ilmenite-like structured and crystallizes in the orthorhombic Pnna space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. Sb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Sb(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Sb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.880
_cell_length_b   5.191
_cell_length_c   8.507
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   215.500
_cell_formula_units_Z   4
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
  Li  Li0  1  0.000  0.750  0.307  1.0
  Li  Li1  1  0.500  0.750  0.193  1.0
  Li  Li2  1  0.000  0.250  0.693  1.0
  Li  Li3  1  0.500  0.250  0.807  1.0
  Sb  Sb4  1  0.000  0.750  0.905  1.0
  Sb  Sb5  1  0.500  0.250  0.405  1.0
  Sb  Sb6  1  0.000  0.250  0.095  1.0
  Sb  Sb7  1  0.500  0.750  0.595  1.0
  O  O8  1  0.708  0.576  0.419  1.0
  O  O9  1  0.792  0.576  0.081  1.0
  O  O10  1  0.292  0.924  0.419  1.0
  O  O11  1  0.250  0.410  0.250  1.0
  O  O12  1  0.750  0.590  0.750  1.0
  O  O13  1  0.250  0.910  0.750  1.0
  O  O14  1  0.792  0.076  0.919  1.0
  O  O15  1  0.750  0.090  0.250  1.0
  O  O16  1  0.208  0.424  0.919  1.0
  O  O17  1  0.292  0.424  0.581  1.0
  O  O18  1  0.708  0.076  0.581  1.0
  O  O19  1  0.208  0.924  0.081  1.0
[/CIF]
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The material described by LiSbO3 is Ilmenite-like structured and crystallizes in the orthorhombic Pnna space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. Sb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Sb(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Sb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.880
_cell_length_b   5.191
_cell_length_c   8.507
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   215.500
_cell_formula_units_Z   4
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
  Li  Li0  1  0.000  0.750  0.307  1.0
  Li  Li1  1  0.500  0.750  0.193  1.0
  Li  Li2  1  0.000  0.250  0.693  1.0
  Li  Li3  1  0.500  0.250  0.807  1.0
  Sb  Sb4  1  0.000  0.750  0.905  1.0
  Sb  Sb5  1  0.500  0.250  0.405  1.0
  Sb  Sb6  1  0.000  0.250  0.095  1.0
  Sb  Sb7  1  0.500  0.750  0.595  1.0
  O  O8  1  0.708  0.576  0.419  1.0
  O  O9  1  0.792  0.576  0.081  1.0
  O  O10  1  0.292  0.924  0.419  1.0
  O  O11  1  0.250  0.410  0.250  1.0
  O  O12  1  0.750  0.590  0.750  1.0
  O  O13  1  0.250  0.910  0.750  1.0
  O  O14  1  0.792  0.076  0.919  1.0
  O  O15  1  0.750  0.090  0.250  1.0
  O  O16  1  0.208  0.424  0.919  1.0
  O  O17  1  0.292  0.424  0.581  1.0
  O  O18  1  0.708  0.076  0.581  1.0
  O  O19  1  0.208  0.924  0.081  1.0
[/CIF]
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