Materials Data on Ti3V2Si3 by Materials Project
Ti3V2Si3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Ti+2.67+ is bonded to five equivalent Si4- atoms to form a mixture of distorted edge and corner-sharing TiSi5 trigonal bipyramids. There are a spread of Ti–Si bond distances ranging from 2.56–2.72 Å. V2+ is bonded in a 8-coordinate geometry to two equivalent V2+ and six equivalent Si4- atoms. Both V–V bond lengths are 2.47 Å. All V–Si bond lengths are 2.56 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Ti+2.67+ and four equivalent V2+ atoms.
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