Sc2H5 crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 10-coordinate geometry to two equivalent H(1), two equivalent H(3), and six equivalent H(2) atoms. In the second Sc site, Sc(2) is bonded in a 9-coordinate geometry to one H(1), two equivalent H(2), and six equivalent H(3) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a trigonal planar geometry to one Sc(2) and two equivalent Sc(1) atoms. In the second H site, H(2) is bonded to one Sc(2) and three equivalent Sc(1) atoms to form a mixture of distorted corner, face, and edge-sharing HSc4 tetrahedra. In the third H site, H(3) is bonded to one Sc(1) and three equivalent Sc(2) atoms to form a mixture of distorted corner, face, and edge-sharing HSc4 tetrahedra.
Sc2H5 crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 10-coordinate geometry to two equivalent H(1), two equivalent H(3), and six equivalent H(2) atoms. Both Sc(1)-H(1) bond lengths are 1.90 Å. Both Sc(1)-H(3) bond lengths are 2.23 Å. There are two shorter (2.06 Å) and four longer (2.24 Å) Sc(1)-H(2) bond lengths. In the second Sc site, Sc(2) is bonded in a 9-coordinate geometry to one H(1), two equivalent H(2), and six equivalent H(3) atoms. The Sc(2)-H(1) bond length is 1.92 Å. Both Sc(2)-H(2) bond lengths are 2.07 Å. There are two shorter (2.07 Å) and four longer (2.09 Å) Sc(2)-H(3) bond lengths. There are three inequivalent H sites. In the first H site, H(1) is bonded in a trigonal planar geometry to one Sc(2) and two equivalent Sc(1) atoms. In the second H site, H(2) is bonded to one Sc(2) and three equivalent Sc(1) atoms to form a mixture of distorted corner, face, and edge-sharing HSc4 tetrahedra. In the third H site, H(3) is bonded to one Sc(1) and three equivalent Sc(2) atoms to form a mixture of distorted corner, face, and edge-sharing HSc4 tetrahedra.