Materials Data on Ta3Si by Materials Project

Abstract

Ta3Si crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Ta sites. In the first Ta site, Ta is bonded in a 4-coordinate geometry to four equivalent Si atoms. There are a spread of Ta–Si bond distances ranging from 2.59–2.71 Å. In the second Ta site, Ta is bonded in a 2-coordinate geometry to two equivalent Si atoms. There are one shorter (2.60 Å) and one longer (2.66 Å) Ta–Si bond lengths. In the third Ta site, Ta is bonded in a 2-coordinate geometry to three equivalent Si atoms. There are a spread of Ta–Si bond distances ranging from 2.58–2.85 Å. Si is bonded in a 9-coordinate geometry to nine Ta atoms.