Materials Data on Ti2Si6Mo by Materials Project

Abstract

Ti2MoSi6 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. Mo2+ is bonded in a distorted q6 geometry to ten Si+1.33- atoms. There are a spread of Mo–Si bond distances ranging from 2.58–2.73 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 Mo2+, and five Si+1.33- atoms. There are a spread of Si–Si bond distances ranging from 2.53–2.73 Å. In the second Si+1.33- site, Si+1.33- is bonded in a 10-coordinate geometry to four equivalent Ti3+, one Mo2+, and five Si+1.33- atoms. There are a spread of Si–Si bond distances ranging from 2.55–2.81 Å.