The material described by LiMo3InO8 is beta indium sulfide-derived structured and crystallizes in the trigonal P3m1 space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(1) and three equivalent O(4) atoms. Mo(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with four equivalent In(1)O6 octahedra and edges with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-55°. In(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form InO6 octahedra that share corners with twelve equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and three equivalent Mo(1) atoms to form a mixture of distorted corner and edge-sharing OLiMo3 tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Mo(1) and one In(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to three equivalent Mo(1) atoms. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Mo(1), and one In(1) atom to form distorted OLiInMo2 trigonal pyramids that share  a cornercorner with one O(1)LiMo3 tetrahedra, corners with two equivalent O(4)LiInMo2 trigonal pyramids,  an edgeedge with one O(1)LiMo3 tetrahedra, and edges with two equivalent O(4)LiInMo2 trigonal pyramids. is represented by the CIF file [CIF]
data_LiInMo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.848
_cell_length_b   5.848
_cell_length_c   5.091
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   150.760
_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
  Li  Li0  1  0.000  0.000  0.699  1.0
  In  In1  1  0.667  0.333  0.730  1.0
  Mo  Mo2  1  0.187  0.813  0.252  1.0
  Mo  Mo3  1  0.627  0.813  0.252  1.0
  Mo  Mo4  1  0.187  0.373  0.252  1.0
  O  O5  1  0.000  0.000  0.060  1.0
  O  O6  1  0.000  0.500  0.014  1.0
  O  O7  1  0.500  1.000  0.014  1.0
  O  O8  1  0.500  0.500  0.014  1.0
  O  O9  1  0.333  0.667  0.533  1.0
  O  O10  1  0.841  0.159  0.477  1.0
  O  O11  1  0.841  0.683  0.477  1.0
  O  O12  1  0.317  0.159  0.477  1.0
[/CIF]
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The material described by LiMo3InO8 is beta indium sulfide-derived structured and crystallizes in the trigonal P3m1 space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(1) and three equivalent O(4) atoms. Mo(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with four equivalent In(1)O6 octahedra and edges with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-55°. In(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form InO6 octahedra that share corners with twelve equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and three equivalent Mo(1) atoms to form a mixture of distorted corner and edge-sharing OLiMo3 tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Mo(1) and one In(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to three equivalent Mo(1) atoms. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Mo(1), and one In(1) atom to form distorted OLiInMo2 trigonal pyramids that share  a cornercorner with one O(1)LiMo3 tetrahedra, corners with two equivalent O(4)LiInMo2 trigonal pyramids,  an edgeedge with one O(1)LiMo3 tetrahedra, and edges with two equivalent O(4)LiInMo2 trigonal pyramids. is represented by the CIF file [CIF]
data_LiInMo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.848
_cell_length_b   5.848
_cell_length_c   5.091
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   150.760
_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
  Li  Li0  1  0.000  0.000  0.699  1.0
  In  In1  1  0.667  0.333  0.730  1.0
  Mo  Mo2  1  0.187  0.813  0.252  1.0
  Mo  Mo3  1  0.627  0.813  0.252  1.0
  Mo  Mo4  1  0.187  0.373  0.252  1.0
  O  O5  1  0.000  0.000  0.060  1.0
  O  O6  1  0.000  0.500  0.014  1.0
  O  O7  1  0.500  1.000  0.014  1.0
  O  O8  1  0.500  0.500  0.014  1.0
  O  O9  1  0.333  0.667  0.533  1.0
  O  O10  1  0.841  0.159  0.477  1.0
  O  O11  1  0.841  0.683  0.477  1.0
  O  O12  1  0.317  0.159  0.477  1.0
[/CIF]
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