Materials Data on Ta2CrSi6 by Materials Project

Abstract

Ta2CrSi6 is Titanium Disilicide-derived structured and crystallizes in the orthorhombic C222 space group. The structure is three-dimensional. Ta3+ is bonded in a distorted q6 geometry to ten Si+1.33- atoms. There are a spread of Ta–Si bond distances ranging from 2.59–2.76 Å. Cr2+ is bonded in a distorted q6 geometry to ten Si+1.33- atoms. There are a spread of Cr–Si bond distances ranging from 2.51–2.82 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 Ta3+, three equivalent Cr2+, and five Si+1.33- atoms. There are a spread of Si–Si bond distances ranging from 2.50–2.78 Å. In the second Si+1.33- site, Si+1.33- is bonded in a 10-coordinate geometry to four equivalent Ta3+, one Cr2+, and five Si+1.33- atoms. There are a spread of Si–Si bond distances ranging from 2.61–2.87 Å.