Ni2AlSi crystallizes in the monoclinic P2_1 space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 7-coordinate geometry to three equivalent Al(1) and four equivalent Si(1) atoms. In the second Ni site, Ni(2) is bonded in a 7-coordinate geometry to four equivalent Al(1) and three equivalent Si(1) atoms. Al(1) is bonded in a 7-coordinate geometry to three equivalent Ni(1), four equivalent Ni(2), and four equivalent Si(1) atoms. Si(1) is bonded in a 11-coordinate geometry to three equivalent Ni(2), four equivalent Ni(1), and four equivalent Al(1) atoms.
Ni2AlSi crystallizes in the monoclinic P2_1 space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 7-coordinate geometry to three equivalent Al(1) and four equivalent Si(1) atoms. There is one shorter (2.40 Å) and two longer (2.43 Å) Ni(1)-Al(1) bond lengths. There are a spread of Ni(1)-Si(1) bond distances ranging from 2.36-2.46 Å. In the second Ni site, Ni(2) is bonded in a 7-coordinate geometry to four equivalent Al(1) and three equivalent Si(1) atoms. There are a spread of Ni(2)-Al(1) bond distances ranging from 2.41-2.46 Å. There are a spread of Ni(2)-Si(1) bond distances ranging from 2.29-2.46 Å. Al(1) is bonded in a 7-coordinate geometry to three equivalent Ni(1), four equivalent Ni(2), and four equivalent Si(1) atoms. There are a spread of Al(1)-Si(1) bond distances ranging from 2.76-2.79 Å. Si(1) is bonded in a 11-coordinate geometry to three equivalent Ni(2), four equivalent Ni(1), and four equivalent Al(1) atoms.