Nb3SnH2 crystallizes in the orthorhombic Ama2 space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a distorted trigonal non-coplanar geometry to four equivalent Sn(1), one H(2), and two equivalent H(1) atoms. In the second Nb site, Nb(2) is bonded in a bent 120 degrees geometry to four equivalent Sn(1) and two equivalent H(2) atoms. In the third Nb site, Nb(3) is bonded in a distorted trigonal non-coplanar geometry to four equivalent Sn(1), one H(2), and two equivalent H(1) atoms. Sn(1) is bonded to four equivalent Nb(1), four equivalent Nb(2), and four equivalent Nb(3) atoms to form SnNb12 cuboctahedra that share corners with four equivalent H(1)Nb4 tetrahedra, edges with six equivalent Sn(1)Nb12 cuboctahedra, faces with eight equivalent Sn(1)Nb12 cuboctahedra, and faces with four equivalent H(1)Nb4 tetrahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded to two equivalent Nb(1) and two equivalent Nb(3) atoms to form distorted HNb4 tetrahedra that share corners with four equivalent Sn(1)Nb12 cuboctahedra, edges with two equivalent H(1)Nb4 tetrahedra, and faces with four equivalent Sn(1)Nb12 cuboctahedra. In the second H site, H(2) is bonded in a 4-coordinate geometry to one Nb(1), one Nb(3), and two equivalent Nb(2) atoms.
Nb3SnH2 crystallizes in the orthorhombic Ama2 space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a distorted trigonal non-coplanar geometry to four equivalent Sn(1), one H(2), and two equivalent H(1) atoms. There are a spread of Nb(1)-Sn(1) bond distances ranging from 3.03-3.09 Å. The Nb(1)-H(2) bond length is 1.95 Å. Both Nb(1)-H(1) bond lengths are 1.94 Å. In the second Nb site, Nb(2) is bonded in a bent 120 degrees geometry to four equivalent Sn(1) and two equivalent H(2) atoms. There are two shorter (3.02 Å) and two longer (3.07 Å) Nb(2)-Sn(1) bond lengths. Both Nb(2)-H(2) bond lengths are 1.95 Å. In the third Nb site, Nb(3) is bonded in a distorted trigonal non-coplanar geometry to four equivalent Sn(1), one H(2), and two equivalent H(1) atoms. There are a spread of Nb(3)-Sn(1) bond distances ranging from 3.01-3.07 Å. The Nb(3)-H(2) bond length is 1.95 Å. Both Nb(3)-H(1) bond lengths are 1.94 Å. Sn(1) is bonded to four equivalent Nb(1), four equivalent Nb(2), and four equivalent Nb(3) atoms to form SnNb12 cuboctahedra that share corners with four equivalent H(1)Nb4 tetrahedra, edges with six equivalent Sn(1)Nb12 cuboctahedra, faces with eight equivalent Sn(1)Nb12 cuboctahedra, and faces with four equivalent H(1)Nb4 tetrahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded to two equivalent Nb(1) and two equivalent Nb(3) atoms to form distorted HNb4 tetrahedra that share corners with four equivalent Sn(1)Nb12 cuboctahedra, edges with two equivalent H(1)Nb4 tetrahedra, and faces with four equivalent Sn(1)Nb12 cuboctahedra. In the second H site, H(2) is bonded in a 4-coordinate geometry to one Nb(1), one Nb(3), and two equivalent Nb(2) atoms.