MgSc2(FeO3)2 is Aluminum carbonitride-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to two equivalent O(2) and three equivalent O(4) atoms to form distorted MgO5 square pyramids that share corners with four equivalent Mg(1)O5 square pyramids, corners with four equivalent Fe(1)O4 tetrahedra, edges with two equivalent Mg(1)O5 square pyramids, and  an edgeedge with one Fe(1)O4 tetrahedra. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 6-coordinate geometry to one O(1), three equivalent O(4), and three equivalent O(6) atoms. In the second Sc site, Sc(2) is bonded to three equivalent O(3) and three equivalent O(5) atoms to form ScO6 octahedra that share corners with three equivalent Fe(1)O4 tetrahedra and edges with six equivalent Sc(2)O6 octahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3) and three equivalent O(2) atoms to form distorted FeO4 tetrahedra that share corners with three equivalent Sc(2)O6 octahedra, corners with four equivalent Mg(1)O5 square pyramids, corners with six equivalent Fe(1)O4 tetrahedra, and  an edgeedge with one Mg(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 52-73°. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one O(5), one O(6), and three equivalent O(1) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Sc(1) and three equivalent Fe(2) atoms to form OScFe3 tetrahedra that share corners with three equivalent O(5)Sc3Fe tetrahedra and corners with six equivalent O(1)ScFe3 tetrahedra. In the second O site, O(2) is bonded to two equivalent Mg(1) and three equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing OMg2Fe3 trigonal bipyramids. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Sc(2) and one Fe(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to three equivalent Mg(1) and three equivalent Sc(1) atoms. In the fifth O site, O(5) is bonded to three equivalent Sc(2) and one Fe(2) atom to form OSc3Fe tetrahedra that share corners with three equivalent O(1)ScFe3 tetrahedra and corners with six equivalent O(5)Sc3Fe tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to three equivalent Sc(1) and one Fe(2) atom.
MgSc2(FeO3)2 is Aluminum carbonitride-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to two equivalent O(2) and three equivalent O(4) atoms to form distorted MgO5 square pyramids that share corners with four equivalent Mg(1)O5 square pyramids, corners with four equivalent Fe(1)O4 tetrahedra, edges with two equivalent Mg(1)O5 square pyramids, and  an edgeedge with one Fe(1)O4 tetrahedra. There is one shorter (2.25 Å) and one longer (2.28 Å) Mg(1)-O(2) bond length. There are a spread of Mg(1)-O(4) bond distances ranging from 2.08-2.13 Å. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 6-coordinate geometry to one O(1), three equivalent O(4), and three equivalent O(6) atoms. The Sc(1)-O(1) bond length is 2.22 Å. There are a spread of Sc(1)-O(4) bond distances ranging from 2.46-2.87 Å. There is one shorter (1.94 Å) and two longer (1.96 Å) Sc(1)-O(6) bond lengths. In the second Sc site, Sc(2) is bonded to three equivalent O(3) and three equivalent O(5) atoms to form ScO6 octahedra that share corners with three equivalent Fe(1)O4 tetrahedra and edges with six equivalent Sc(2)O6 octahedra. There are two shorter (2.17 Å) and one longer (2.38 Å) Sc(2)-O(3) bond length. There are two shorter (2.12 Å) and one longer (2.14 Å) Sc(2)-O(5) bond length. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3) and three equivalent O(2) atoms to form distorted FeO4 tetrahedra that share corners with three equivalent Sc(2)O6 octahedra, corners with four equivalent Mg(1)O5 square pyramids, corners with six equivalent Fe(1)O4 tetrahedra, and  an edgeedge with one Mg(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 52-73°. The Fe(1)-O(3) bond length is 1.94 Å. There is one shorter (2.03 Å) and two longer (2.21 Å) Fe(1)-O(2) bond lengths. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one O(5), one O(6), and three equivalent O(1) atoms. The Fe(2)-O(5) bond length is 2.15 Å. The Fe(2)-O(6) bond length is 2.41 Å. There are a spread of Fe(2)-O(1) bond distances ranging from 1.96-2.02 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Sc(1) and three equivalent Fe(2) atoms to form OScFe3 tetrahedra that share corners with three equivalent O(5)Sc3Fe tetrahedra and corners with six equivalent O(1)ScFe3 tetrahedra. In the second O site, O(2) is bonded to two equivalent Mg(1) and three equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing OMg2Fe3 trigonal bipyramids. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Sc(2) and one Fe(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to three equivalent Mg(1) and three equivalent Sc(1) atoms. In the fifth O site, O(5) is bonded to three equivalent Sc(2) and one Fe(2) atom to form OSc3Fe tetrahedra that share corners with three equivalent O(1)ScFe3 tetrahedra and corners with six equivalent O(5)Sc3Fe tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to three equivalent Sc(1) and one Fe(2) atom.