The material structure described by LiTiRhO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent Ti(1)O6 octahedra and corners with six equivalent Rh(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-65°. Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Rh(1)O6 octahedra. Rh(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form RhO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Rh(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Ti(1), and one Rh(1) atom. In the second O site, O(2) is bonded to one Li(1), one Ti(1), and two equivalent Rh(1) atoms to form a mixture of distorted corner and edge-sharing OLiTiRh2 trigonal pyramids. is represented by the CIF card [CIF]
data_LiTiRhO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.981
_cell_length_b   5.981
_cell_length_c   5.981
_cell_angle_alpha   120.226
_cell_angle_beta   117.918
_cell_angle_gamma   91.626
_symmetry_Int_Tables_number   1
_cell_volume   153.256
_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  0.621  0.371  0.250  1.0
  Li  Li1  1  0.379  0.629  0.750  1.0
  Ti  Ti2  1  0.000  0.000  0.500  1.0
  Ti  Ti3  1  0.000  0.500  0.000  1.0
  Rh  Rh4  1  0.000  0.000  0.000  1.0
  Rh  Rh5  1  0.500  0.000  0.500  1.0
  O  O6  1  0.782  0.249  0.533  1.0
  O  O7  1  0.215  0.249  0.967  1.0
  O  O8  1  0.763  0.245  0.982  1.0
  O  O9  1  0.763  0.781  0.518  1.0
  O  O10  1  0.218  0.751  0.467  1.0
  O  O11  1  0.785  0.751  0.033  1.0
  O  O12  1  0.237  0.755  0.018  1.0
  O  O13  1  0.237  0.219  0.482  1.0
[/CIF]
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The material structure described by LiTiRhO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent Ti(1)O6 octahedra and corners with six equivalent Rh(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-65°. Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Rh(1)O6 octahedra. Rh(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form RhO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Rh(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Ti(1), and one Rh(1) atom. In the second O site, O(2) is bonded to one Li(1), one Ti(1), and two equivalent Rh(1) atoms to form a mixture of distorted corner and edge-sharing OLiTiRh2 trigonal pyramids. is represented by the CIF card [CIF]
data_LiTiRhO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.981
_cell_length_b   5.981
_cell_length_c   5.981
_cell_angle_alpha   120.226
_cell_angle_beta   117.918
_cell_angle_gamma   91.626
_symmetry_Int_Tables_number   1
_cell_volume   153.256
_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  0.621  0.371  0.250  1.0
  Li  Li1  1  0.379  0.629  0.750  1.0
  Ti  Ti2  1  0.000  0.000  0.500  1.0
  Ti  Ti3  1  0.000  0.500  0.000  1.0
  Rh  Rh4  1  0.000  0.000  0.000  1.0
  Rh  Rh5  1  0.500  0.000  0.500  1.0
  O  O6  1  0.782  0.249  0.533  1.0
  O  O7  1  0.215  0.249  0.967  1.0
  O  O8  1  0.763  0.245  0.982  1.0
  O  O9  1  0.763  0.781  0.518  1.0
  O  O10  1  0.218  0.751  0.467  1.0
  O  O11  1  0.785  0.751  0.033  1.0
  O  O12  1  0.237  0.755  0.018  1.0
  O  O13  1  0.237  0.219  0.482  1.0
[/CIF]
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