Sr3Sc2N4 crystallizes in the orthorhombic Pnna space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 5-coordinate geometry to two equivalent N(1) and three equivalent N(2) atoms. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to two equivalent N(2) and four equivalent N(1) atoms. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form edge-sharing ScN4 tetrahedra. In the second Sc site, Sc(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted edge-sharing ScN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Sc(1), and one Sc(2) atom. In the second N site, N(2) is bonded in a 6-coordinate geometry to one Sr(2), three equivalent Sr(1), one Sc(1), and one Sc(2) atom.
Sr3Sc2N4 crystallizes in the orthorhombic Pnna space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 5-coordinate geometry to two equivalent N(1) and three equivalent N(2) atoms. There is one shorter (2.68 Å) and one longer (3.18 Å) Sr(1)-N(1) bond length. There are a spread of Sr(1)-N(2) bond distances ranging from 2.58-2.96 Å. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to two equivalent N(2) and four equivalent N(1) atoms. Both Sr(2)-N(2) bond lengths are 3.09 Å. There are two shorter (2.80 Å) and two longer (2.83 Å) Sr(2)-N(1) bond lengths. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form edge-sharing ScN4 tetrahedra. Both Sc(1)-N(1) bond lengths are 2.09 Å. Both Sc(1)-N(2) bond lengths are 2.12 Å. In the second Sc site, Sc(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted edge-sharing ScN4 tetrahedra. Both Sc(2)-N(1) bond lengths are 2.16 Å. Both Sc(2)-N(2) bond lengths are 2.12 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Sc(1), and one Sc(2) atom. In the second N site, N(2) is bonded in a 6-coordinate geometry to one Sr(2), three equivalent Sr(1), one Sc(1), and one Sc(2) atom.