TbScSi is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 7-coordinate geometry to two equivalent Sc(2), one Si(2), two equivalent Si(1), and two equivalent Si(3) atoms. In the second Tb site, Tb(2) is bonded in a 11-coordinate geometry to two equivalent Sc(2), four equivalent Sc(1), one Si(2), two equivalent Si(1), and two equivalent Si(4) atoms. In the third Tb site, Tb(3) is bonded in a 7-coordinate geometry to two equivalent Sc(2), one Si(4), two equivalent Si(1), and two equivalent Si(3) atoms. In the fourth Tb site, Tb(4) 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 two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 4-coordinate geometry to one Tb(2), one Si(2), one Si(4), and two equivalent Si(3) atoms. In the second Sc site, Sc(2) is bonded in a 7-coordinate geometry to one Tb(2), two equivalent Tb(1), two equivalent Tb(3), and two equivalent Si(1) atoms. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Tb(2), one Tb(4), two equivalent Tb(1), two equivalent Tb(3), two equivalent Sc(2), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Tb(2), two equivalent Tb(1), two equivalent Tb(4), and four equivalent Sc(1) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to one Tb(4), two equivalent Tb(1), two equivalent Tb(3), and four equivalent Sc(1) atoms. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one Tb(4), two equivalent Tb(2), two equivalent Tb(3), and four equivalent Sc(1) atoms.
TbScSi is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 7-coordinate geometry to two equivalent Sc(2), one Si(2), two equivalent Si(1), and two equivalent Si(3) atoms. There is one shorter (3.07 Å) and one longer (3.12 Å) Tb(1)-Sc(2) bond length. The Tb(1)-Si(2) bond length is 2.84 Å. Both Tb(1)-Si(1) bond lengths are 2.87 Å. Both Tb(1)-Si(3) bond lengths are 3.26 Å. In the second Tb site, Tb(2) is bonded in a 11-coordinate geometry to two equivalent Sc(2), four equivalent Sc(1), one Si(2), two equivalent Si(1), and two equivalent Si(4) atoms. Both Tb(2)-Sc(2) bond lengths are 2.88 Å. All Tb(2)-Sc(1) bond lengths are 3.26 Å. The Tb(2)-Si(2) bond length is 2.85 Å. Both Tb(2)-Si(1) bond lengths are 2.86 Å. Both Tb(2)-Si(4) bond lengths are 3.22 Å. In the third Tb site, Tb(3) is bonded in a 7-coordinate geometry to two equivalent Sc(2), one Si(4), two equivalent Si(1), and two equivalent Si(3) atoms. Both Tb(3)-Sc(2) bond lengths are 3.20 Å. The Tb(3)-Si(4) bond length is 3.20 Å. Both Tb(3)-Si(1) bond lengths are 2.81 Å. There is one shorter (2.89 Å) and one longer (3.28 Å) Tb(3)-Si(3) bond length. In the fourth Tb site, Tb(4) 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 Tb(4)-Si(4) bond length is 3.12 Å. Both Tb(4)-Si(1) bond lengths are 3.11 Å. Both Tb(4)-Si(2) bond lengths are 3.31 Å. Both Tb(4)-Si(3) bond lengths are 2.98 Å. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 4-coordinate geometry to one Tb(2), one Si(2), one Si(4), and two equivalent Si(3) atoms. The Sc(1)-Si(2) bond length is 2.91 Å. The Sc(1)-Si(4) bond length is 2.85 Å. There is one shorter (3.09 Å) and one longer (3.28 Å) Sc(1)-Si(3) bond length. In the second Sc site, Sc(2) is bonded in a 7-coordinate geometry to one Tb(2), two equivalent Tb(1), two equivalent Tb(3), and two equivalent Si(1) atoms. Both Sc(2)-Si(1) bond lengths are 3.19 Å. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Tb(2), one Tb(4), two equivalent Tb(1), two equivalent Tb(3), two equivalent Sc(2), and one Si(1) atom. The Si(1)-Si(1) bond length is 2.36 Å. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Tb(2), two equivalent Tb(1), two equivalent Tb(4), and four equivalent Sc(1) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to one Tb(4), two equivalent Tb(1), two equivalent Tb(3), and four equivalent Sc(1) atoms. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one Tb(4), two equivalent Tb(2), two equivalent Tb(3), and four equivalent Sc(1) atoms.