MgSc2O4 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form a mixture of edge and corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles range from 50-66°. In the second Sc site, Sc(2) is bonded to one O(3), two equivalent O(1), and three equivalent O(4) atoms to form a mixture of edge and corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles range from 50-66°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Sc(1), and two equivalent Sc(2) atoms. In the second O site, O(2) is bonded to two equivalent Mg(1) and three equivalent Sc(1) atoms to form a mixture of edge and corner-sharing OMg2Sc3 square pyramids. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Mg(1), one Sc(2), and two equivalent Sc(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Mg(1) and three equivalent Sc(2) atoms to form a mixture of distorted edge and corner-sharing OMg2Sc3 trigonal bipyramids.
MgSc2O4 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Both Mg(1)-O(1) bond lengths are 2.41 Å. Both Mg(1)-O(2) bond lengths are 2.24 Å. There is one shorter (2.59 Å) and one longer (2.66 Å) Mg(1)-O(3) bond length. Both Mg(1)-O(4) bond lengths are 2.33 Å. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form a mixture of edge and corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles range from 50-66°. The Sc(1)-O(1) bond length is 2.12 Å. Both Sc(1)-O(3) bond lengths are 2.01 Å. There is one shorter (2.19 Å) and two longer (2.20 Å) Sc(1)-O(2) bond lengths. In the second Sc site, Sc(2) is bonded to one O(3), two equivalent O(1), and three equivalent O(4) atoms to form a mixture of edge and corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles range from 50-66°. The Sc(2)-O(3) bond length is 2.04 Å. Both Sc(2)-O(1) bond lengths are 2.15 Å. There is one shorter (2.13 Å) and two longer (2.16 Å) Sc(2)-O(4) bond lengths. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Sc(1), and two equivalent Sc(2) atoms. In the second O site, O(2) is bonded to two equivalent Mg(1) and three equivalent Sc(1) atoms to form a mixture of edge and corner-sharing OMg2Sc3 square pyramids. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Mg(1), one Sc(2), and two equivalent Sc(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Mg(1) and three equivalent Sc(2) atoms to form a mixture of distorted edge and corner-sharing OMg2Sc3 trigonal bipyramids.