Materials Data on Ti5Si3 by Materials Project
Ti5Si3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ti+2.40+ sites. In the first Ti+2.40+ site, Ti+2.40+ is bonded in a 6-coordinate geometry to six equivalent Si4- atoms. All Ti–Si bond lengths are 2.64 Å. In the second Ti+2.40+ site, Ti+2.40+ 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 2.57–2.78 Å. Si4- is bonded in a 9-coordinate geometry to nine Ti+2.40+ atoms.