TbNiSn2 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 14-coordinate geometry to one Ni(2), two equivalent Ni(3), three equivalent Ni(1), one Sn(6), two equivalent Sn(1), two equivalent Sn(4), and three equivalent Sn(3) atoms. In the second Tb site, Tb(2) is bonded in a 11-coordinate geometry to one Ni(3), two equivalent Ni(1), one Sn(1), one Sn(2), one Sn(3), two equivalent Sn(4), two equivalent Sn(5), and two equivalent Sn(6) atoms. In the third Tb site, Tb(3) is bonded in a 13-coordinate geometry to two equivalent Ni(2), two equivalent Ni(3), one Sn(1), one Sn(6), two equivalent Sn(4), two equivalent Sn(5), and three equivalent Sn(2) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 10-coordinate geometry to two equivalent Tb(2), three equivalent Tb(1), one Sn(4), one Sn(5), and three equivalent Sn(3) atoms. In the second Ni site, Ni(2) is bonded in a 7-coordinate geometry to one Tb(1), two equivalent Tb(3), one Sn(4), one Sn(5), one Sn(6), and two equivalent Sn(1) atoms. In the third Ni site, Ni(3) is bonded in a 10-coordinate geometry to one Tb(2), two equivalent Tb(1), two equivalent Tb(3), one Sn(1), one Sn(2), one Sn(4), and two equivalent Sn(6) atoms. There are six inequivalent Sn sites. In the first Sn site, Sn(3) is bonded in a 8-coordinate geometry to one Tb(2), three equivalent Tb(1), three equivalent Ni(1), and one Sn(1) atom. In the second Sn site, Sn(4) is bonded in a 9-coordinate geometry to two equivalent Tb(1), two equivalent Tb(2), two equivalent Tb(3), one Ni(1), one Ni(2), and one Ni(3) atom. In the third Sn site, Sn(5) is bonded in a 6-coordinate geometry to two equivalent Tb(2), two equivalent Tb(3), one Ni(1), and one Ni(2) atom. In the fourth Sn site, Sn(6) is bonded in a 7-coordinate geometry to one Tb(1), one Tb(3), two equivalent Tb(2), one Ni(2), and two equivalent Ni(3) atoms. In the fifth Sn site, Sn(1) is bonded in a 8-coordinate geometry to one Tb(2), one Tb(3), two equivalent Tb(1), one Ni(3), two equivalent Ni(2), and one Sn(3) atom. In the sixth Sn site, Sn(2) is bonded in a 2-coordinate geometry to one Tb(2), three equivalent Tb(3), and one Ni(3) atom.
TbNiSn2 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 14-coordinate geometry to one Ni(2), two equivalent Ni(3), three equivalent Ni(1), one Sn(6), two equivalent Sn(1), two equivalent Sn(4), and three equivalent Sn(3) atoms. The Tb(1)-Ni(2) bond length is 3.41 Å. Both Tb(1)-Ni(3) bond lengths are 3.30 Å. There are two shorter (3.37 Å) and one longer (3.48 Å) Tb(1)-Ni(1) bond length. The Tb(1)-Sn(6) bond length is 3.20 Å. Both Tb(1)-Sn(1) bond lengths are 3.18 Å. Both Tb(1)-Sn(4) bond lengths are 3.13 Å. There is one shorter (3.15 Å) and two longer (3.17 Å) Tb(1)-Sn(3) bond lengths. In the second Tb site, Tb(2) is bonded in a 11-coordinate geometry to one Ni(3), two equivalent Ni(1), one Sn(1), one Sn(2), one Sn(3), two equivalent Sn(4), two equivalent Sn(5), and two equivalent Sn(6) atoms. The Tb(2)-Ni(3) bond length is 3.53 Å. Both Tb(2)-Ni(1) bond lengths are 3.09 Å. The Tb(2)-Sn(1) bond length is 3.39 Å. The Tb(2)-Sn(2) bond length is 3.52 Å. The Tb(2)-Sn(3) bond length is 3.22 Å. Both Tb(2)-Sn(4) bond lengths are 3.20 Å. Both Tb(2)-Sn(5) bond lengths are 3.44 Å. Both Tb(2)-Sn(6) bond lengths are 3.16 Å. In the third Tb site, Tb(3) is bonded in a 13-coordinate geometry to two equivalent Ni(2), two equivalent Ni(3), one Sn(1), one Sn(6), two equivalent Sn(4), two equivalent Sn(5), and three equivalent Sn(2) atoms. Both Tb(3)-Ni(2) bond lengths are 3.16 Å. Both Tb(3)-Ni(3) bond lengths are 3.26 Å. The Tb(3)-Sn(1) bond length is 3.30 Å. The Tb(3)-Sn(6) bond length is 3.47 Å. Both Tb(3)-Sn(4) bond lengths are 3.17 Å. Both Tb(3)-Sn(5) bond lengths are 3.50 Å. There is one shorter (3.16 Å) and two longer (3.59 Å) Tb(3)-Sn(2) bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 10-coordinate geometry to two equivalent Tb(2), three equivalent Tb(1), one Sn(4), one Sn(5), and three equivalent Sn(3) atoms. The Ni(1)-Sn(4) bond length is 2.64 Å. The Ni(1)-Sn(5) bond length is 2.69 Å. There are two shorter (2.55 Å) and one longer (2.76 Å) Ni(1)-Sn(3) bond length. In the second Ni site, Ni(2) is bonded in a 7-coordinate geometry to one Tb(1), two equivalent Tb(3), one Sn(4), one Sn(5), one Sn(6), and two equivalent Sn(1) atoms. The Ni(2)-Sn(4) bond length is 2.56 Å. The Ni(2)-Sn(5) bond length is 2.61 Å. The Ni(2)-Sn(6) bond length is 2.79 Å. Both Ni(2)-Sn(1) bond lengths are 2.51 Å. In the third Ni site, Ni(3) is bonded in a 10-coordinate geometry to one Tb(2), two equivalent Tb(1), two equivalent Tb(3), one Sn(1), one Sn(2), one Sn(4), and two equivalent Sn(6) atoms. The Ni(3)-Sn(1) bond length is 2.68 Å. The Ni(3)-Sn(2) bond length is 2.53 Å. The Ni(3)-Sn(4) bond length is 2.62 Å. Both Ni(3)-Sn(6) bond lengths are 2.58 Å. There are six inequivalent Sn sites. In the first Sn site, Sn(3) is bonded in a 8-coordinate geometry to one Tb(2), three equivalent Tb(1), three equivalent Ni(1), and one Sn(1) atom. The Sn(3)-Sn(1) bond length is 3.03 Å. In the second Sn site, Sn(4) is bonded in a 9-coordinate geometry to two equivalent Tb(1), two equivalent Tb(2), two equivalent Tb(3), one Ni(1), one Ni(2), and one Ni(3) atom. In the third Sn site, Sn(5) is bonded in a 6-coordinate geometry to two equivalent Tb(2), two equivalent Tb(3), one Ni(1), and one Ni(2) atom. In the fourth Sn site, Sn(6) is bonded in a 7-coordinate geometry to one Tb(1), one Tb(3), two equivalent Tb(2), one Ni(2), and two equivalent Ni(3) atoms. In the fifth Sn site, Sn(1) is bonded in a 8-coordinate geometry to one Tb(2), one Tb(3), two equivalent Tb(1), one Ni(3), two equivalent Ni(2), and one Sn(3) atom. In the sixth Sn site, Sn(2) is bonded in a 2-coordinate geometry to one Tb(2), three equivalent Tb(3), and one Ni(3) atom.