Fe2NiSi is Tungsten-derived structured and crystallizes in the cubic F-43m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 14-coordinate geometry to four equivalent Fe(2), four equivalent Ni(1), and six equivalent Si(1) atoms. In the second Fe site, Fe(2) is bonded in a 14-coordinate geometry to four equivalent Fe(1), six equivalent Ni(1), and four equivalent Si(1) atoms. Ni(1) is bonded in a distorted body-centered cubic geometry to four equivalent Fe(1), six equivalent Fe(2), and four equivalent Si(1) atoms. Si(1) is bonded in a distorted body-centered cubic geometry to four equivalent Fe(2), six equivalent Fe(1), and four equivalent Ni(1) atoms.
Fe2NiSi is Tungsten-derived structured and crystallizes in the cubic F-43m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 14-coordinate geometry to four equivalent Fe(2), four equivalent Ni(1), and six equivalent Si(1) atoms. All Fe(1)-Fe(2) bond lengths are 2.44 Å. All Fe(1)-Ni(1) bond lengths are 2.44 Å. All Fe(1)-Si(1) bond lengths are 2.82 Å. In the second Fe site, Fe(2) is bonded in a 14-coordinate geometry to four equivalent Fe(1), six equivalent Ni(1), and four equivalent Si(1) atoms. All Fe(2)-Ni(1) bond lengths are 2.82 Å. All Fe(2)-Si(1) bond lengths are 2.44 Å. Ni(1) is bonded in a distorted body-centered cubic geometry to four equivalent Fe(1), six equivalent Fe(2), and four equivalent Si(1) atoms. All Ni(1)-Si(1) bond lengths are 2.44 Å. Si(1) is bonded in a distorted body-centered cubic geometry to four equivalent Fe(2), six equivalent Fe(1), and four equivalent Ni(1) atoms.