The structure described by Li3InO3 crystallizes in the trigonal P-31c space group. Li(1) is bonded to four equivalent O(1) atoms to form LiO4 tetrahedra that share corners with two equivalent In(1)O6 octahedra, corners with two equivalent In(2)O6 octahedra, corners with six equivalent Li(1)O4 tetrahedra,  an edgeedge with one In(1)O6 octahedra,  an edgeedge with one In(2)O6 octahedra, and edges with three equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-57°. There are two inequivalent In sites. In the first In site, In(1) is bonded to six equivalent O(1) atoms to form InO6 octahedra that share corners with twelve equivalent Li(1)O4 tetrahedra, edges with three equivalent In(2)O6 octahedra, and edges with six equivalent Li(1)O4 tetrahedra. In the second In site, In(2) is bonded to six equivalent O(1) atoms to form InO6 octahedra that share corners with twelve equivalent Li(1)O4 tetrahedra, edges with three equivalent In(1)O6 octahedra, and edges with six equivalent Li(1)O4 tetrahedra. O(1) is bonded in a 6-coordinate geometry to four equivalent Li(1), one In(1), and one In(2) atom. is represented by the CIF card [CIF]
data_Li3InO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.614
_cell_length_b   5.614
_cell_length_c   10.262
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.997
_symmetry_Int_Tables_number   1
_cell_volume   280.052
_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  0.629  0.947  0.931  1.0
  Li  Li1  1  0.053  0.682  0.931  1.0
  Li  Li2  1  0.318  0.371  0.931  1.0
  Li  Li3  1  0.053  0.371  0.569  1.0
  Li  Li4  1  0.318  0.947  0.569  1.0
  Li  Li5  1  0.629  0.682  0.569  1.0
  Li  Li6  1  0.371  0.053  0.069  1.0
  Li  Li7  1  0.947  0.318  0.069  1.0
  Li  Li8  1  0.682  0.629  0.069  1.0
  Li  Li9  1  0.947  0.629  0.431  1.0
  Li  Li10  1  0.682  0.053  0.431  1.0
  Li  Li11  1  0.371  0.318  0.431  1.0
  In  In12  1  0.667  0.333  0.750  1.0
  In  In13  1  0.333  0.667  0.250  1.0
  In  In14  1  0.000  0.000  0.750  1.0
  In  In15  1  1.000  0.000  0.250  1.0
  O  O16  1  0.702  0.040  0.622  1.0
  O  O17  1  0.960  0.662  0.622  1.0
  O  O18  1  0.338  0.298  0.622  1.0
  O  O19  1  0.960  0.298  0.878  1.0
  O  O20  1  0.338  0.040  0.878  1.0
  O  O21  1  0.702  0.662  0.878  1.0
  O  O22  1  0.298  0.960  0.378  1.0
  O  O23  1  0.040  0.338  0.378  1.0
  O  O24  1  0.662  0.702  0.378  1.0
  O  O25  1  0.040  0.702  0.122  1.0
  O  O26  1  0.662  0.960  0.122  1.0
  O  O27  1  0.298  0.338  0.122  1.0
[/CIF]
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The structure described by Li3InO3 crystallizes in the trigonal P-31c space group. Li(1) is bonded to four equivalent O(1) atoms to form LiO4 tetrahedra that share corners with two equivalent In(1)O6 octahedra, corners with two equivalent In(2)O6 octahedra, corners with six equivalent Li(1)O4 tetrahedra,  an edgeedge with one In(1)O6 octahedra,  an edgeedge with one In(2)O6 octahedra, and edges with three equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-57°. There are two inequivalent In sites. In the first In site, In(1) is bonded to six equivalent O(1) atoms to form InO6 octahedra that share corners with twelve equivalent Li(1)O4 tetrahedra, edges with three equivalent In(2)O6 octahedra, and edges with six equivalent Li(1)O4 tetrahedra. In the second In site, In(2) is bonded to six equivalent O(1) atoms to form InO6 octahedra that share corners with twelve equivalent Li(1)O4 tetrahedra, edges with three equivalent In(1)O6 octahedra, and edges with six equivalent Li(1)O4 tetrahedra. O(1) is bonded in a 6-coordinate geometry to four equivalent Li(1), one In(1), and one In(2) atom. is represented by the CIF card [CIF]
data_Li3InO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.614
_cell_length_b   5.614
_cell_length_c   10.262
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.997
_symmetry_Int_Tables_number   1
_cell_volume   280.052
_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  0.629  0.947  0.931  1.0
  Li  Li1  1  0.053  0.682  0.931  1.0
  Li  Li2  1  0.318  0.371  0.931  1.0
  Li  Li3  1  0.053  0.371  0.569  1.0
  Li  Li4  1  0.318  0.947  0.569  1.0
  Li  Li5  1  0.629  0.682  0.569  1.0
  Li  Li6  1  0.371  0.053  0.069  1.0
  Li  Li7  1  0.947  0.318  0.069  1.0
  Li  Li8  1  0.682  0.629  0.069  1.0
  Li  Li9  1  0.947  0.629  0.431  1.0
  Li  Li10  1  0.682  0.053  0.431  1.0
  Li  Li11  1  0.371  0.318  0.431  1.0
  In  In12  1  0.667  0.333  0.750  1.0
  In  In13  1  0.333  0.667  0.250  1.0
  In  In14  1  0.000  0.000  0.750  1.0
  In  In15  1  1.000  0.000  0.250  1.0
  O  O16  1  0.702  0.040  0.622  1.0
  O  O17  1  0.960  0.662  0.622  1.0
  O  O18  1  0.338  0.298  0.622  1.0
  O  O19  1  0.960  0.298  0.878  1.0
  O  O20  1  0.338  0.040  0.878  1.0
  O  O21  1  0.702  0.662  0.878  1.0
  O  O22  1  0.298  0.960  0.378  1.0
  O  O23  1  0.040  0.338  0.378  1.0
  O  O24  1  0.662  0.702  0.378  1.0
  O  O25  1  0.040  0.702  0.122  1.0
  O  O26  1  0.662  0.960  0.122  1.0
  O  O27  1  0.298  0.338  0.122  1.0
[/CIF]
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