YNiAl3 crystallizes in the orthorhombic Pnma space group. Y(1) is bonded in a 15-coordinate geometry to two equivalent Y(1), two equivalent Ni(1), three equivalent Al(1), four equivalent Al(2), and four equivalent Al(3) atoms. Ni(1) is bonded in a 9-coordinate geometry to two equivalent Y(1), two equivalent Al(2), two equivalent Al(3), and three equivalent Al(1) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 3-coordinate geometry to three equivalent Y(1), three equivalent Ni(1), and two equivalent Al(3) atoms. In the second Al site, Al(2) is bonded in a 2-coordinate geometry to four equivalent Y(1), two equivalent Ni(1), and four equivalent Al(3) atoms. In the third Al site, Al(3) is bonded in a 12-coordinate geometry to four equivalent Y(1), two equivalent Ni(1), two equivalent Al(1), and four equivalent Al(2) atoms.
YNiAl3 crystallizes in the orthorhombic Pnma space group. Y(1) is bonded in a 15-coordinate geometry to two equivalent Y(1), two equivalent Ni(1), three equivalent Al(1), four equivalent Al(2), and four equivalent Al(3) atoms. Both Y(1)-Y(1) bond lengths are 3.64 Å. Both Y(1)-Ni(1) bond lengths are 3.07 Å. There are two shorter (3.01 Å) and one longer (3.14 Å) Y(1)-Al(1) bond length. There are a spread of Y(1)-Al(2) bond distances ranging from 3.18-3.33 Å. There are a spread of Y(1)-Al(3) bond distances ranging from 3.05-3.64 Å. Ni(1) is bonded in a 9-coordinate geometry to two equivalent Y(1), two equivalent Al(2), two equivalent Al(3), and three equivalent Al(1) atoms. There is one shorter (2.34 Å) and one longer (2.39 Å) Ni(1)-Al(2) bond length. Both Ni(1)-Al(3) bond lengths are 2.48 Å. There is one shorter (2.43 Å) and two longer (2.48 Å) Ni(1)-Al(1) bond lengths. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 3-coordinate geometry to three equivalent Y(1), three equivalent Ni(1), and two equivalent Al(3) atoms. There is one shorter (2.60 Å) and one longer (2.87 Å) Al(1)-Al(3) bond length. In the second Al site, Al(2) is bonded in a 2-coordinate geometry to four equivalent Y(1), two equivalent Ni(1), and four equivalent Al(3) atoms. There are two shorter (2.88 Å) and two longer (2.91 Å) Al(2)-Al(3) bond lengths. In the third Al site, Al(3) is bonded in a 12-coordinate geometry to four equivalent Y(1), two equivalent Ni(1), two equivalent Al(1), and four equivalent Al(2) atoms.