SrSc2S4 crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one S(2), two equivalent S(4), and three equivalent S(1) atoms to form a mixture of corner and edge-sharing ScS6 octahedra. The corner-sharing octahedral tilt angles range from 48-59°. In the second Sc site, Sc(2) is bonded to one S(4), two equivalent S(2), and three equivalent S(3) atoms to form a mixture of corner and edge-sharing ScS6 octahedra. The corner-sharing octahedral tilt angles range from 48-59°. There are four inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Sr(1) and three equivalent Sc(1) atoms to form a mixture of distorted corner and edge-sharing SSr2Sc3 trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent Sr(1), one Sc(1), and two equivalent Sc(2) atoms to form a mixture of distorted corner and edge-sharing SSr2Sc3 trigonal bipyramids. In the third S site, S(3) is bonded to two equivalent Sr(1) and three equivalent Sc(2) atoms to form a mixture of corner and edge-sharing SSr2Sc3 square pyramids. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Sc(2), and two equivalent Sc(1) atoms.
SrSc2S4 crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. Both Sr(1)-S(1) bond lengths are 3.06 Å. There is one shorter (3.17 Å) and one longer (3.19 Å) Sr(1)-S(2) bond length. Both Sr(1)-S(3) bond lengths are 3.02 Å. Both Sr(1)-S(4) bond lengths are 3.07 Å. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one S(2), two equivalent S(4), and three equivalent S(1) atoms to form a mixture of corner and edge-sharing ScS6 octahedra. The corner-sharing octahedral tilt angles range from 48-59°. The Sc(1)-S(2) bond length is 2.61 Å. Both Sc(1)-S(4) bond lengths are 2.63 Å. There is one shorter (2.55 Å) and two longer (2.60 Å) Sc(1)-S(1) bond lengths. In the second Sc site, Sc(2) is bonded to one S(4), two equivalent S(2), and three equivalent S(3) atoms to form a mixture of corner and edge-sharing ScS6 octahedra. The corner-sharing octahedral tilt angles range from 48-59°. The Sc(2)-S(4) bond length is 2.66 Å. Both Sc(2)-S(2) bond lengths are 2.57 Å. There is one shorter (2.58 Å) and two longer (2.61 Å) Sc(2)-S(3) bond lengths. There are four inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Sr(1) and three equivalent Sc(1) atoms to form a mixture of distorted corner and edge-sharing SSr2Sc3 trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent Sr(1), one Sc(1), and two equivalent Sc(2) atoms to form a mixture of distorted corner and edge-sharing SSr2Sc3 trigonal bipyramids. In the third S site, S(3) is bonded to two equivalent Sr(1) and three equivalent Sc(2) atoms to form a mixture of corner and edge-sharing SSr2Sc3 square pyramids. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Sc(2), and two equivalent Sc(1) atoms.