The structure described by LiFe2Rh3O8 is Spinel-derived structured and crystallizes in the trigonal R3m space group. Li(1) is bonded to one O(1) and three equivalent O(2) atoms to form LiO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra and corners with nine equivalent Rh(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-59°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form FeO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra, and edges with six equivalent Rh(1)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(3) and three equivalent O(4) atoms to form FeO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra and corners with nine equivalent Rh(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-59°. Rh(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form RhO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Rh(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and three equivalent Rh(1) atoms to form distorted corner-sharing OLiRh3 trigonal pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(1), and two equivalent Rh(1) atoms. In the third O site, O(3) is bonded to one Fe(2) and three equivalent Rh(1) atoms to form distorted corner-sharing OFeRh3 trigonal pyramids. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(2), and two equivalent Rh(1) atoms. is represented by the CIF card [CIF]
data_LiFe2Rh3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.992
_cell_length_b   5.992
_cell_length_c   5.992
_cell_angle_alpha   61.618
_cell_angle_beta   61.618
_cell_angle_gamma   61.618
_symmetry_Int_Tables_number   1
_cell_volume   157.681
_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  0.247  0.247  0.247  1.0
  Fe  Fe1  1  0.623  0.623  0.623  1.0
  Fe  Fe2  1  0.004  0.004  0.004  1.0
  Rh  Rh3  1  0.623  0.623  0.130  1.0
  Rh  Rh4  1  0.130  0.623  0.623  1.0
  Rh  Rh5  1  0.623  0.130  0.623  1.0
  O  O6  1  0.387  0.387  0.387  1.0
  O  O7  1  0.387  0.387  0.842  1.0
  O  O8  1  0.842  0.387  0.387  1.0
  O  O9  1  0.387  0.842  0.387  1.0
  O  O10  1  0.868  0.868  0.868  1.0
  O  O11  1  0.868  0.868  0.394  1.0
  O  O12  1  0.394  0.868  0.868  1.0
  O  O13  1  0.868  0.394  0.868  1.0
[/CIF]
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The structure described by LiFe2Rh3O8 is Spinel-derived structured and crystallizes in the trigonal R3m space group. Li(1) is bonded to one O(1) and three equivalent O(2) atoms to form LiO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra and corners with nine equivalent Rh(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-59°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form FeO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra, and edges with six equivalent Rh(1)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(3) and three equivalent O(4) atoms to form FeO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra and corners with nine equivalent Rh(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-59°. Rh(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form RhO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Rh(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and three equivalent Rh(1) atoms to form distorted corner-sharing OLiRh3 trigonal pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(1), and two equivalent Rh(1) atoms. In the third O site, O(3) is bonded to one Fe(2) and three equivalent Rh(1) atoms to form distorted corner-sharing OFeRh3 trigonal pyramids. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(2), and two equivalent Rh(1) atoms. is represented by the CIF card [CIF]
data_LiFe2Rh3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.992
_cell_length_b   5.992
_cell_length_c   5.992
_cell_angle_alpha   61.618
_cell_angle_beta   61.618
_cell_angle_gamma   61.618
_symmetry_Int_Tables_number   1
_cell_volume   157.681
_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  0.247  0.247  0.247  1.0
  Fe  Fe1  1  0.623  0.623  0.623  1.0
  Fe  Fe2  1  0.004  0.004  0.004  1.0
  Rh  Rh3  1  0.623  0.623  0.130  1.0
  Rh  Rh4  1  0.130  0.623  0.623  1.0
  Rh  Rh5  1  0.623  0.130  0.623  1.0
  O  O6  1  0.387  0.387  0.387  1.0
  O  O7  1  0.387  0.387  0.842  1.0
  O  O8  1  0.842  0.387  0.387  1.0
  O  O9  1  0.387  0.842  0.387  1.0
  O  O10  1  0.868  0.868  0.868  1.0
  O  O11  1  0.868  0.868  0.394  1.0
  O  O12  1  0.394  0.868  0.868  1.0
  O  O13  1  0.868  0.394  0.868  1.0
[/CIF]
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