Materials Data on Ti5Sb3 by Materials Project
Ti5Sb3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Ti sites. In the first Ti site, Ti is bonded in a 5-coordinate geometry to five Sb atoms. There are a spread of Ti–Sb bond distances ranging from 2.72–2.97 Å. In the second Ti site, Ti is bonded in a 5-coordinate geometry to five Sb atoms. There are a spread of Ti–Sb bond distances ranging from 2.76–2.95 Å. In the third Ti site, Ti is bonded in a 5-coordinate geometry to five Sb atoms. There are three shorter (2.80 Å) and two longer (2.82 Å) Ti–Sb bond lengths. In the fourth Ti site, Ti is bonded to six Sb atoms to form distorted corner-sharing TiSb6 octahedra. The corner-sharing octahedra tilt angles range from 30–47°. There are a spread of Ti–Sb bond distances ranging from 2.75–2.92 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 8-coordinate geometry to eight Ti atoms. In the second Sb site, Sb is bonded in a 9-coordinate geometry to nine Ti atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1197303
- Report Number(s):
- mp-22033
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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