ScRhO3 is Ilmenite-like structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms. In the second Sc site, Sc(2) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms. There are four inequivalent Rh sites. In the first Rh site, Rh(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second Rh site, Rh(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form corner-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the third Rh site, Rh(3) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form corner-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. In the fourth Rh site, Rh(4) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form corner-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles range from 46-50°. There are six inequivalent O sites. In the first O site, O(5) is bonded to one Sc(1), one Sc(2), one Rh(2), and one Rh(4) atom to form a mixture of distorted edge and corner-sharing OSc2Rh2 trigonal pyramids. In the second O site, O(6) is bonded to one Sc(1), one Sc(2), one Rh(2), and one Rh(3) atom to form a mixture of distorted edge and corner-sharing OSc2Rh2 trigonal pyramids. In the third O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sc(1), one Rh(1), and one Rh(4) atom. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sc(2), one Rh(1), and one Rh(2) atom. In the fifth O site, O(3) is bonded in a distorted see-saw-like geometry to one Sc(1), one Sc(2), one Rh(1), and one Rh(3) atom. In the sixth O site, O(4) is bonded to one Sc(1), one Sc(2), one Rh(3), and one Rh(4) atom to form a mixture of distorted edge and corner-sharing OSc2Rh2 trigonal pyramids.
ScRhO3 is Ilmenite-like structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms. The Sc(1)-O(3) bond length is 2.16 Å. The Sc(1)-O(4) bond length is 2.21 Å. The Sc(1)-O(5) bond length is 2.09 Å. The Sc(1)-O(6) bond length is 2.08 Å. There is one shorter (2.15 Å) and one longer (2.27 Å) Sc(1)-O(1) bond length. In the second Sc site, Sc(2) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms. The Sc(2)-O(3) bond length is 2.07 Å. The Sc(2)-O(4) bond length is 2.09 Å. The Sc(2)-O(5) bond length is 2.15 Å. The Sc(2)-O(6) bond length is 2.19 Å. There is one shorter (2.13 Å) and one longer (2.29 Å) Sc(2)-O(2) bond length. There are four inequivalent Rh sites. In the first Rh site, Rh(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. Both Rh(1)-O(1) bond lengths are 2.06 Å. Both Rh(1)-O(2) bond lengths are 2.08 Å. Both Rh(1)-O(3) bond lengths are 2.08 Å. In the second Rh site, Rh(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form corner-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. Both Rh(2)-O(2) bond lengths are 2.12 Å. Both Rh(2)-O(5) bond lengths are 2.08 Å. Both Rh(2)-O(6) bond lengths are 2.08 Å. In the third Rh site, Rh(3) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form corner-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. Both Rh(3)-O(3) bond lengths are 2.06 Å. Both Rh(3)-O(4) bond lengths are 2.08 Å. Both Rh(3)-O(6) bond lengths are 2.07 Å. In the fourth Rh site, Rh(4) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form corner-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles range from 46-50°. Both Rh(4)-O(1) bond lengths are 2.11 Å. Both Rh(4)-O(4) bond lengths are 2.06 Å. Both Rh(4)-O(5) bond lengths are 2.08 Å. There are six inequivalent O sites. In the first O site, O(5) is bonded to one Sc(1), one Sc(2), one Rh(2), and one Rh(4) atom to form a mixture of distorted edge and corner-sharing OSc2Rh2 trigonal pyramids. In the second O site, O(6) is bonded to one Sc(1), one Sc(2), one Rh(2), and one Rh(3) atom to form a mixture of distorted edge and corner-sharing OSc2Rh2 trigonal pyramids. In the third O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sc(1), one Rh(1), and one Rh(4) atom. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sc(2), one Rh(1), and one Rh(2) atom. In the fifth O site, O(3) is bonded in a distorted see-saw-like geometry to one Sc(1), one Sc(2), one Rh(1), and one Rh(3) atom. In the sixth O site, O(4) is bonded to one Sc(1), one Sc(2), one Rh(3), and one Rh(4) atom to form a mixture of distorted edge and corner-sharing OSc2Rh2 trigonal pyramids.