Materials Data on Ti10CrSb5 by Materials Project
Ti10CrSb5 crystallizes in the tetragonal I422 space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 6-coordinate geometry to two equivalent Ti and four equivalent Sb atoms. Both Ti–Ti bond lengths are 2.63 Å. All Ti–Sb bond lengths are 2.76 Å. In the second Ti site, Ti is bonded in a 6-coordinate geometry to one Cr and five Sb atoms. The Ti–Cr bond length is 2.70 Å. There are a spread of Ti–Sb bond distances ranging from 2.78–3.13 Å. Cr is bonded in a distorted q6 geometry to eight equivalent Ti and two equivalent Sb atoms. Both Cr–Sb bond lengths are 2.63 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 10-coordinate geometry to ten Ti atoms. In the second Sb site, Sb is bonded in a distorted q6 geometry to eight equivalent Ti and two equivalent Cr atoms.