LuNiSn2 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. There are three inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 13-coordinate geometry to two equivalent Ni(1), two equivalent Ni(2), one Sn(3), one Sn(4), two equivalent Sn(1), two equivalent Sn(2), and three equivalent Sn(5) atoms. In the second Lu site, Lu(2) is bonded in a 11-coordinate geometry to one Ni(2), two equivalent Ni(3), one Sn(4), one Sn(5), one Sn(6), two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms. In the third Lu site, Lu(3) is bonded in a 14-coordinate geometry to one Ni(1), two equivalent Ni(2), three equivalent Ni(3), one Sn(3), two equivalent Sn(1), two equivalent Sn(4), and three equivalent Sn(6) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 7-coordinate geometry to one Lu(3), two equivalent Lu(1), one Sn(1), one Sn(2), one Sn(3), and two equivalent Sn(4) atoms. In the second Ni site, Ni(2) is bonded in a 10-coordinate geometry to one Lu(2), two equivalent Lu(1), two equivalent Lu(3), one Sn(1), one Sn(4), one Sn(5), and two equivalent Sn(3) atoms. In the third Ni site, Ni(3) is bonded in a 10-coordinate geometry to two equivalent Lu(2), three equivalent Lu(3), one Sn(1), one Sn(2), and three equivalent Sn(6) atoms. There are six inequivalent Sn sites. In the first Sn site, Sn(4) is bonded in a 8-coordinate geometry to one Lu(1), one Lu(2), two equivalent Lu(3), one Ni(2), two equivalent Ni(1), and one Sn(6) atom. In the second Sn site, Sn(5) is bonded in a 2-coordinate geometry to one Lu(2), three equivalent Lu(1), and one Ni(2) atom. In the third Sn site, Sn(6) is bonded in a 8-coordinate geometry to one Lu(2), three equivalent Lu(3), three equivalent Ni(3), and one Sn(4) atom. In the fourth Sn site, Sn(1) is bonded in a 9-coordinate geometry to two equivalent Lu(1), two equivalent Lu(2), two equivalent Lu(3), one Ni(1), one Ni(2), and one Ni(3) atom. In the fifth Sn site, Sn(2) is bonded in a 6-coordinate geometry to two equivalent Lu(1), two equivalent Lu(2), one Ni(1), and one Ni(3) atom. In the sixth Sn site, Sn(3) is bonded in a 7-coordinate geometry to one Lu(1), one Lu(3), two equivalent Lu(2), one Ni(1), and two equivalent Ni(2) atoms.
LuNiSn2 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. There are three inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 13-coordinate geometry to two equivalent Ni(1), two equivalent Ni(2), one Sn(3), one Sn(4), two equivalent Sn(1), two equivalent Sn(2), and three equivalent Sn(5) atoms. Both Lu(1)-Ni(1) bond lengths are 3.06 Å. Both Lu(1)-Ni(2) bond lengths are 3.18 Å. The Lu(1)-Sn(3) bond length is 3.42 Å. The Lu(1)-Sn(4) bond length is 3.23 Å. Both Lu(1)-Sn(1) bond lengths are 3.11 Å. Both Lu(1)-Sn(2) bond lengths are 3.52 Å. There is one shorter (3.11 Å) and two longer (3.58 Å) Lu(1)-Sn(5) bond lengths. In the second Lu site, Lu(2) is bonded in a 11-coordinate geometry to one Ni(2), two equivalent Ni(3), one Sn(4), one Sn(5), one Sn(6), two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms. The Lu(2)-Ni(2) bond length is 3.48 Å. Both Lu(2)-Ni(3) bond lengths are 3.01 Å. The Lu(2)-Sn(4) bond length is 3.35 Å. The Lu(2)-Sn(5) bond length is 3.49 Å. The Lu(2)-Sn(6) bond length is 3.17 Å. Both Lu(2)-Sn(1) bond lengths are 3.13 Å. Both Lu(2)-Sn(2) bond lengths are 3.41 Å. Both Lu(2)-Sn(3) bond lengths are 3.10 Å. In the third Lu site, Lu(3) is bonded in a 14-coordinate geometry to one Ni(1), two equivalent Ni(2), three equivalent Ni(3), one Sn(3), two equivalent Sn(1), two equivalent Sn(4), and three equivalent Sn(6) atoms. The Lu(3)-Ni(1) bond length is 3.38 Å. Both Lu(3)-Ni(2) bond lengths are 3.28 Å. There are two shorter (3.35 Å) and one longer (3.47 Å) Lu(3)-Ni(3) bond length. The Lu(3)-Sn(3) bond length is 3.17 Å. Both Lu(3)-Sn(1) bond lengths are 3.08 Å. Both Lu(3)-Sn(4) bond lengths are 3.13 Å. There are two shorter (3.12 Å) and one longer (3.17 Å) Lu(3)-Sn(6) bond length. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 7-coordinate geometry to one Lu(3), two equivalent Lu(1), one Sn(1), one Sn(2), one Sn(3), and two equivalent Sn(4) atoms. The Ni(1)-Sn(1) bond length is 2.53 Å. The Ni(1)-Sn(2) bond length is 2.59 Å. The Ni(1)-Sn(3) bond length is 2.82 Å. Both Ni(1)-Sn(4) bond lengths are 2.49 Å. In the second Ni site, Ni(2) is bonded in a 10-coordinate geometry to one Lu(2), two equivalent Lu(1), two equivalent Lu(3), one Sn(1), one Sn(4), one Sn(5), and two equivalent Sn(3) atoms. The Ni(2)-Sn(1) bond length is 2.57 Å. The Ni(2)-Sn(4) bond length is 2.67 Å. The Ni(2)-Sn(5) bond length is 2.55 Å. Both Ni(2)-Sn(3) bond lengths are 2.56 Å. In the third Ni site, Ni(3) is bonded in a 10-coordinate geometry to two equivalent Lu(2), three equivalent Lu(3), one Sn(1), one Sn(2), and three equivalent Sn(6) atoms. The Ni(3)-Sn(1) bond length is 2.60 Å. The Ni(3)-Sn(2) bond length is 2.65 Å. There are two shorter (2.54 Å) and one longer (2.73 Å) Ni(3)-Sn(6) bond length. There are six inequivalent Sn sites. In the first Sn site, Sn(4) is bonded in a 8-coordinate geometry to one Lu(1), one Lu(2), two equivalent Lu(3), one Ni(2), two equivalent Ni(1), and one Sn(6) atom. The Sn(4)-Sn(6) bond length is 2.99 Å. In the second Sn site, Sn(5) is bonded in a 2-coordinate geometry to one Lu(2), three equivalent Lu(1), and one Ni(2) atom. In the third Sn site, Sn(6) is bonded in a 8-coordinate geometry to one Lu(2), three equivalent Lu(3), three equivalent Ni(3), and one Sn(4) atom. In the fourth Sn site, Sn(1) is bonded in a 9-coordinate geometry to two equivalent Lu(1), two equivalent Lu(2), two equivalent Lu(3), one Ni(1), one Ni(2), and one Ni(3) atom. In the fifth Sn site, Sn(2) is bonded in a 6-coordinate geometry to two equivalent Lu(1), two equivalent Lu(2), one Ni(1), and one Ni(3) atom. In the sixth Sn site, Sn(3) is bonded in a 7-coordinate geometry to one Lu(1), one Lu(3), two equivalent Lu(2), one Ni(1), and two equivalent Ni(2) atoms.