Materials Data on Ti10CuSn6 by Materials Project
Ti10CuSn6 crystallizes in the trigonal P-31m space group. The structure is three-dimensional. there are three inequivalent Ti sites. In the first Ti site, Ti is bonded in a 8-coordinate geometry to two equivalent Ti and six equivalent Sn atoms. Both Ti–Ti bond lengths are 2.75 Å. All Ti–Sn bond lengths are 2.87 Å. In the second Ti site, Ti is bonded in a 8-coordinate geometry to two equivalent Ti and six equivalent Sn atoms. All Ti–Sn bond lengths are 2.90 Å. In the third Ti site, Ti is bonded in a 6-coordinate geometry to one Cu and five equivalent Sn atoms. The Ti–Cu bond length is 2.57 Å. There are a spread of Ti–Sn bond distances ranging from 2.78–2.95 Å. Cu is bonded in an octahedral geometry to six equivalent Ti atoms. Sn is bonded in a 9-coordinate geometry to nine Ti atoms.