The material described by LiScO2 crystallizes in the tetragonal I4_1/amd space group. Li(1) is bonded to six O(1,1) atoms to form LiO6 octahedra that share corners with two equivalent Sc(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with eight equivalent Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. Sc(1) is bonded to six O(1,1) atoms to form ScO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Sc(1)O6 octahedra, edges with four equivalent Sc(1)O6 octahedra, and edges with eight equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1) and three equivalent Sc(1) atoms to form a mixture of corner and edge-sharing OLi3Sc3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second O site, O(1) is bonded to three equivalent Li(1) and three equivalent Sc(1) atoms to form a mixture of corner and edge-sharing OLi3Sc3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiScO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.494
_cell_length_b   5.494
_cell_length_c   5.494
_cell_angle_alpha   135.169
_cell_angle_beta   135.169
_cell_angle_gamma   65.268
_symmetry_Int_Tables_number   1
_cell_volume   81.214
_cell_formula_units_Z   2
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  0.000  0.000  1.0
  Li  Li1  1  0.750  0.250  0.500  1.0
  Sc  Sc2  1  0.250  0.750  0.500  1.0
  Sc  Sc3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.270  0.270  0.000  1.0
  O  O5  1  0.020  0.520  0.500  1.0
  O  O6  1  0.730  0.730  0.000  1.0
  O  O7  1  0.480  0.980  0.500  1.0
[/CIF]
.
The material described by LiScO2 crystallizes in the tetragonal I4_1/amd space group. Li(1) is bonded to six O(1,1) atoms to form LiO6 octahedra that share corners with two equivalent Sc(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with eight equivalent Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. Sc(1) is bonded to six O(1,1) atoms to form ScO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Sc(1)O6 octahedra, edges with four equivalent Sc(1)O6 octahedra, and edges with eight equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1) and three equivalent Sc(1) atoms to form a mixture of corner and edge-sharing OLi3Sc3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second O site, O(1) is bonded to three equivalent Li(1) and three equivalent Sc(1) atoms to form a mixture of corner and edge-sharing OLi3Sc3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiScO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.494
_cell_length_b   5.494
_cell_length_c   5.494
_cell_angle_alpha   135.169
_cell_angle_beta   135.169
_cell_angle_gamma   65.268
_symmetry_Int_Tables_number   1
_cell_volume   81.214
_cell_formula_units_Z   2
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  0.000  0.000  1.0
  Li  Li1  1  0.750  0.250  0.500  1.0
  Sc  Sc2  1  0.250  0.750  0.500  1.0
  Sc  Sc3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.270  0.270  0.000  1.0
  O  O5  1  0.020  0.520  0.500  1.0
  O  O6  1  0.730  0.730  0.000  1.0
  O  O7  1  0.480  0.980  0.500  1.0
[/CIF]
.