Materials Data on Yb5Si4 by Materials Project
Yb5Si4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Yb sites. In the first Yb site, Yb is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Yb–Si bond distances ranging from 2.97–3.12 Å. In the second Yb site, Yb is bonded to six Si atoms to form a mixture of distorted corner, edge, and face-sharing YbSi6 octahedra. The corner-sharing octahedra tilt angles range from 38–47°. There are a spread of Yb–Si bond distances ranging from 3.10–3.26 Å. In the third Yb site, Yb is bonded to six Si atoms to form a mixture of distorted corner and face-sharing YbSi6 octahedra. The corner-sharing octahedra tilt angles range from 45–60°. There are a spread of Yb–Si bond distances ranging from 3.01–3.34 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to eight Yb and one Si atom. The Si–Si bond length is 2.37 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to seven Yb and one Si atom. The Si–Si bond length is 2.38 Å. In the third Si site, Si is bonded in a 9-coordinate geometry to eight Yb and one Si atom.
- 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:
- 1195249
- Report Number(s):
- mp-20101
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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