Ni2SiAs is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Pbca space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 5-coordinate geometry to two equivalent Si(1) and four equivalent As(1) atoms. In the second Ni site, Ni(2) is bonded in a 6-coordinate geometry to four equivalent Si(1) and two equivalent As(1) atoms. Si(1) is bonded in a 8-coordinate geometry to two equivalent Ni(1), four equivalent Ni(2), one Si(1), and one As(1) atom. As(1) is bonded in a 7-coordinate geometry to two equivalent Ni(2), four equivalent Ni(1), and one Si(1) atom.
Ni2SiAs is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Pbca space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 5-coordinate geometry to two equivalent Si(1) and four equivalent As(1) atoms. There is one shorter (2.30 Å) and one longer (2.31 Å) Ni(1)-Si(1) bond length. There are a spread of Ni(1)-As(1) bond distances ranging from 2.35-3.05 Å. In the second Ni site, Ni(2) is bonded in a 6-coordinate geometry to four equivalent Si(1) and two equivalent As(1) atoms. There are a spread of Ni(2)-Si(1) bond distances ranging from 2.31-2.41 Å. There is one shorter (2.47 Å) and one longer (2.48 Å) Ni(2)-As(1) bond length. Si(1) is bonded in a 8-coordinate geometry to two equivalent Ni(1), four equivalent Ni(2), one Si(1), and one As(1) atom. The Si(1)-Si(1) bond length is 2.57 Å. The Si(1)-As(1) bond length is 2.69 Å. As(1) is bonded in a 7-coordinate geometry to two equivalent Ni(2), four equivalent Ni(1), and one Si(1) atom.