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.
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°. The Li(1)-O(1) bond length is 2.03 Å. All Li(1)-O(2) bond lengths are 2.03 Å. 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. All Fe(1)-O(2) bond lengths are 2.02 Å. All Fe(1)-O(4) bond lengths are 2.10 Å. 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°. The Fe(2)-O(3) bond length is 1.97 Å. All Fe(2)-O(4) bond lengths are 1.95 Å. 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. The Rh(1)-O(1) bond length is 2.03 Å. The Rh(1)-O(3) bond length is 2.10 Å. Both Rh(1)-O(2) bond lengths are 2.04 Å. Both Rh(1)-O(4) bond lengths are 2.11 Å. 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.