YNiSn2 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. There are three inequivalent Y sites. In the first Y site, Y(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 Y site, Y(2) is bonded in a 11-coordinate geometry to 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 Y site, Y(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 Y(2), three equivalent Y(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 Y(1), two equivalent Y(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 9-coordinate geometry to two equivalent Y(1), two equivalent Y(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 Y(2), three equivalent Y(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 Y(1), two equivalent Y(2), two equivalent Y(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 Y(2), two equivalent Y(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 Y(1), one Y(3), two equivalent Y(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 Y(2), one Y(3), two equivalent Y(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 Y(2), three equivalent Y(3), and one Ni(3) atom.
YNiSn2 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. There are three inequivalent Y sites. In the first Y site, Y(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 Y(1)-Ni(2) bond length is 3.40 Å. Both Y(1)-Ni(3) bond lengths are 3.27 Å. There are two shorter (3.35 Å) and one longer (3.46 Å) Y(1)-Ni(1) bond length. The Y(1)-Sn(6) bond length is 3.20 Å. Both Y(1)-Sn(1) bond lengths are 3.17 Å. Both Y(1)-Sn(4) bond lengths are 3.12 Å. There is one shorter (3.15 Å) and two longer (3.16 Å) Y(1)-Sn(3) bond lengths. In the second Y site, Y(2) is bonded in a 11-coordinate geometry to 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. Both Y(2)-Ni(1) bond lengths are 3.11 Å. The Y(2)-Sn(1) bond length is 3.37 Å. The Y(2)-Sn(2) bond length is 3.52 Å. The Y(2)-Sn(3) bond length is 3.23 Å. Both Y(2)-Sn(4) bond lengths are 3.20 Å. Both Y(2)-Sn(5) bond lengths are 3.43 Å. Both Y(2)-Sn(6) bond lengths are 3.16 Å. In the third Y site, Y(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 Y(3)-Ni(2) bond lengths are 3.17 Å. Both Y(3)-Ni(3) bond lengths are 3.28 Å. The Y(3)-Sn(1) bond length is 3.28 Å. The Y(3)-Sn(6) bond length is 3.48 Å. Both Y(3)-Sn(4) bond lengths are 3.18 Å. Both Y(3)-Sn(5) bond lengths are 3.46 Å. There is one shorter (3.17 Å) and two longer (3.58 Å) Y(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 Y(2), three equivalent Y(1), one Sn(4), one Sn(5), and three equivalent Sn(3) atoms. The Ni(1)-Sn(4) bond length is 2.62 Å. The Ni(1)-Sn(5) bond length is 2.67 Å. There are two shorter (2.53 Å) and one longer (2.75 Å) Ni(1)-Sn(3) bond length. In the second Ni site, Ni(2) is bonded in a 7-coordinate geometry to one Y(1), two equivalent Y(3), one Sn(4), one Sn(5), one Sn(6), and two equivalent Sn(1) atoms. The Ni(2)-Sn(4) bond length is 2.55 Å. The Ni(2)-Sn(5) bond length is 2.63 Å. The Ni(2)-Sn(6) bond length is 2.77 Å. Both Ni(2)-Sn(1) bond lengths are 2.50 Å. In the third Ni site, Ni(3) is bonded in a 9-coordinate geometry to two equivalent Y(1), two equivalent Y(3), one Sn(1), one Sn(2), one Sn(4), and two equivalent Sn(6) atoms. The Ni(3)-Sn(1) bond length is 2.66 Å. The Ni(3)-Sn(2) bond length is 2.53 Å. The Ni(3)-Sn(4) bond length is 2.61 Å. Both Ni(3)-Sn(6) bond lengths are 2.57 Å. There are six inequivalent Sn sites. In the first Sn site, Sn(3) is bonded in a 8-coordinate geometry to one Y(2), three equivalent Y(1), three equivalent Ni(1), and one Sn(1) atom. The Sn(3)-Sn(1) bond length is 3.01 Å. In the second Sn site, Sn(4) is bonded in a 9-coordinate geometry to two equivalent Y(1), two equivalent Y(2), two equivalent Y(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 Y(2), two equivalent Y(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 Y(1), one Y(3), two equivalent Y(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 Y(2), one Y(3), two equivalent Y(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 Y(2), three equivalent Y(3), and one Ni(3) atom.