Sc2CrN3 crystallizes in the orthorhombic Immm space group. Sc(1) is bonded in a 7-coordinate geometry to two equivalent N(1) and five equivalent N(2) atoms. Cr(1) is bonded in a square co-planar geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to four equivalent Sc(1) and two equivalent Cr(1) atoms to form NSc4Cr2 octahedra that share corners with two equivalent N(1)Sc4Cr2 octahedra, corners with twelve equivalent N(2)Sc5Cr octahedra, edges with two equivalent N(1)Sc4Cr2 octahedra, and faces with four equivalent N(2)Sc5Cr octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the second N site, N(2) is bonded to five equivalent Sc(1) and one Cr(1) atom to form NSc5Cr octahedra that share corners with five equivalent N(2)Sc5Cr octahedra, corners with six equivalent N(1)Sc4Cr2 octahedra, edges with eight equivalent N(2)Sc5Cr octahedra, and faces with two equivalent N(1)Sc4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°.
Sc2CrN3 crystallizes in the orthorhombic Immm space group. Sc(1) is bonded in a 7-coordinate geometry to two equivalent N(1) and five equivalent N(2) atoms. Both Sc(1)-N(1) bond lengths are 2.39 Å. There is one shorter (2.14 Å) and four longer (2.37 Å) Sc(1)-N(2) bond lengths. Cr(1) is bonded in a square co-planar geometry to two equivalent N(1) and two equivalent N(2) atoms. Both Cr(1)-N(1) bond lengths are 1.79 Å. Both Cr(1)-N(2) bond lengths are 1.97 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded to four equivalent Sc(1) and two equivalent Cr(1) atoms to form NSc4Cr2 octahedra that share corners with two equivalent N(1)Sc4Cr2 octahedra, corners with twelve equivalent N(2)Sc5Cr octahedra, edges with two equivalent N(1)Sc4Cr2 octahedra, and faces with four equivalent N(2)Sc5Cr octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the second N site, N(2) is bonded to five equivalent Sc(1) and one Cr(1) atom to form NSc5Cr octahedra that share corners with five equivalent N(2)Sc5Cr octahedra, corners with six equivalent N(1)Sc4Cr2 octahedra, edges with eight equivalent N(2)Sc5Cr octahedra, and faces with two equivalent N(1)Sc4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°.