Nd(ScSi)4 crystallizes in the orthorhombic P2_12_12_1 space group. Nd(1) is bonded in a 7-coordinate geometry to one Si(4), two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. There are four inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 6-coordinate geometry to one Si(2), one Si(3), two equivalent Si(1), and two equivalent Si(4) atoms. In the second Sc site, Sc(2) is bonded in a 6-coordinate geometry to one Si(1), one Si(3), two equivalent Si(2), and two equivalent Si(4) atoms. In the third Sc site, Sc(3) is bonded to one Si(1), one Si(2), two equivalent Si(3), and two equivalent Si(4) atoms to form a mixture of distorted corner and face-sharing ScSi6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the fourth Sc site, Sc(4) is bonded to one Si(2), one Si(4), two equivalent Si(1), and two equivalent Si(3) atoms to form a mixture of distorted corner and face-sharing ScSi6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 42-44°. There are four inequivalent Si sites. In the first Si site, Si(4) is bonded in a 9-coordinate geometry to one Nd(1), one Sc(4), two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), and one Si(3) atom. In the second Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Nd(1), one Sc(2), one Sc(3), two equivalent Sc(1), two equivalent Sc(4), and one Si(2) atom. In the third Si site, Si(2) is bonded in a 8-coordinate geometry to two equivalent Nd(1), one Sc(1), one Sc(3), one Sc(4), two equivalent Sc(2), and one Si(1) atom. In the fourth Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Nd(1), one Sc(1), one Sc(2), two equivalent Sc(3), two equivalent Sc(4), and one Si(4) atom.
Nd(ScSi)4 crystallizes in the orthorhombic P2_12_12_1 space group. Nd(1) is bonded in a 7-coordinate geometry to one Si(4), two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. The Nd(1)-Si(4) bond length is 3.09 Å. There is one shorter (3.06 Å) and one longer (3.24 Å) Nd(1)-Si(1) bond length. There is one shorter (2.93 Å) and one longer (3.06 Å) Nd(1)-Si(2) bond length. There is one shorter (2.99 Å) and one longer (3.07 Å) Nd(1)-Si(3) bond length. There are four inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 6-coordinate geometry to one Si(2), one Si(3), two equivalent Si(1), and two equivalent Si(4) atoms. The Sc(1)-Si(2) bond length is 2.76 Å. The Sc(1)-Si(3) bond length is 2.83 Å. There is one shorter (2.71 Å) and one longer (2.79 Å) Sc(1)-Si(1) bond length. There is one shorter (2.71 Å) and one longer (2.77 Å) Sc(1)-Si(4) bond length. In the second Sc site, Sc(2) is bonded in a 6-coordinate geometry to one Si(1), one Si(3), two equivalent Si(2), and two equivalent Si(4) atoms. The Sc(2)-Si(1) bond length is 2.84 Å. The Sc(2)-Si(3) bond length is 2.86 Å. There is one shorter (2.77 Å) and one longer (2.79 Å) Sc(2)-Si(2) bond length. There is one shorter (2.75 Å) and one longer (2.78 Å) Sc(2)-Si(4) bond length. In the third Sc site, Sc(3) is bonded to one Si(1), one Si(2), two equivalent Si(3), and two equivalent Si(4) atoms to form a mixture of distorted corner and face-sharing ScSi6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. The Sc(3)-Si(1) bond length is 2.96 Å. The Sc(3)-Si(2) bond length is 2.90 Å. There is one shorter (2.83 Å) and one longer (2.85 Å) Sc(3)-Si(3) bond length. There is one shorter (2.79 Å) and one longer (3.00 Å) Sc(3)-Si(4) bond length. In the fourth Sc site, Sc(4) is bonded to one Si(2), one Si(4), two equivalent Si(1), and two equivalent Si(3) atoms to form a mixture of distorted corner and face-sharing ScSi6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 42-44°. The Sc(4)-Si(2) bond length is 2.90 Å. The Sc(4)-Si(4) bond length is 2.98 Å. There is one shorter (2.93 Å) and one longer (3.02 Å) Sc(4)-Si(1) bond length. There is one shorter (2.86 Å) and one longer (2.97 Å) Sc(4)-Si(3) bond length. There are four inequivalent Si sites. In the first Si site, Si(4) is bonded in a 9-coordinate geometry to one Nd(1), one Sc(4), two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), and one Si(3) atom. The Si(4)-Si(3) bond length is 2.52 Å. In the second Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Nd(1), one Sc(2), one Sc(3), two equivalent Sc(1), two equivalent Sc(4), and one Si(2) atom. The Si(1)-Si(2) bond length is 2.50 Å. In the third Si site, Si(2) is bonded in a 8-coordinate geometry to two equivalent Nd(1), one Sc(1), one Sc(3), one Sc(4), two equivalent Sc(2), and one Si(1) atom. In the fourth Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Nd(1), one Sc(1), one Sc(2), two equivalent Sc(3), two equivalent Sc(4), and one Si(4) atom.