The structure described by LiInO2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1md space group. Li(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent In(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with eight equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form InO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent In(1)O6 octahedra, edges with four equivalent In(1)O6 octahedra, and edges with eight equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1) and three equivalent In(1) atoms to form a mixture of corner and edge-sharing OLi3In3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second O site, O(2) is bonded to three equivalent Li(1) and three equivalent In(1) atoms to form a mixture of corner and edge-sharing OLi3In3 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiInO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.563
_cell_length_b   5.563
_cell_length_c   5.563
_cell_angle_alpha   134.170
_cell_angle_beta   134.170
_cell_angle_gamma   66.822
_symmetry_Int_Tables_number   1
_cell_volume   87.130
_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  0.262  0.762  0.500  1.0
  Li  Li1  1  0.512  0.512  0.000  1.0
  In  In2  1  0.757  0.257  0.500  1.0
  In  In3  1  0.007  0.007  0.000  1.0
  O  O4  1  0.991  0.491  0.500  1.0
  O  O5  1  0.770  0.770  0.000  1.0
  O  O6  1  0.520  0.020  0.500  1.0
  O  O7  1  0.241  0.241  0.000  1.0
[/CIF]
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The structure described by LiInO2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1md space group. Li(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent In(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with eight equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form InO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent In(1)O6 octahedra, edges with four equivalent In(1)O6 octahedra, and edges with eight equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1) and three equivalent In(1) atoms to form a mixture of corner and edge-sharing OLi3In3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second O site, O(2) is bonded to three equivalent Li(1) and three equivalent In(1) atoms to form a mixture of corner and edge-sharing OLi3In3 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiInO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.563
_cell_length_b   5.563
_cell_length_c   5.563
_cell_angle_alpha   134.170
_cell_angle_beta   134.170
_cell_angle_gamma   66.822
_symmetry_Int_Tables_number   1
_cell_volume   87.130
_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  0.262  0.762  0.500  1.0
  Li  Li1  1  0.512  0.512  0.000  1.0
  In  In2  1  0.757  0.257  0.500  1.0
  In  In3  1  0.007  0.007  0.000  1.0
  O  O4  1  0.991  0.491  0.500  1.0
  O  O5  1  0.770  0.770  0.000  1.0
  O  O6  1  0.520  0.020  0.500  1.0
  O  O7  1  0.241  0.241  0.000  1.0
[/CIF]
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