Materials Data on Ti2Si6W by Materials Project

Abstract

Ti2WSi6 is Titanium Disilicide-derived structured and crystallizes in the orthorhombic C222 space group. The structure is three-dimensional. Ti3+ is bonded in a distorted q6 geometry to ten Si+1.33- atoms. There are a spread of Ti–Si bond distances ranging from 2.56–2.79 Å. W2+ is bonded in a distorted q6 geometry to ten Si+1.33- atoms. There are a spread of W–Si bond distances ranging from 2.59–2.74 Å. There are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 10-coordinate geometry to two equivalent Ti3+, three equivalent W2+, and five Si+1.33- atoms. There are a spread of Si–Si bond distances ranging from 2.54–2.74 Å. In the second Si+1.33- site, Si+1.33- is bonded in a 10-coordinate geometry to four equivalent Ti3+, one W2+, and five Si+1.33- atoms. There are a spread of Si–Si bond distances ranging from 2.54–2.82 Å.