Materials Data on Y3Si3Rh by Materials Project
Y3RhSi3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven Si4- atoms. There are a spread of Y–Si bond distances ranging from 2.95–3.13 Å. In the second Y3+ site, Y3+ is bonded in a 6-coordinate geometry to six Si4- atoms. There are a spread of Y–Si bond distances ranging from 2.91–3.09 Å. In the third Y3+ site, Y3+ is bonded to six Si4- atoms to form distorted YSi6 pentagonal pyramids that share corners with four equivalent YSi6 pentagonal pyramids, corners with two equivalent RhSi4 tetrahedra, edges with two equivalent YSi6 pentagonal pyramids, and edges with two equivalent RhSi4 tetrahedra. There are a spread of Y–Si bond distances ranging from 2.92–3.18 Å. Rh3+ is bonded to four Si4- atoms to form RhSi4 tetrahedra that share corners with two equivalent YSi6 pentagonal pyramids, corners with two equivalent RhSi4 tetrahedra, edges with two equivalent YSi6 pentagonal pyramids, and edges with two equivalent RhSi4 tetrahedra. There are a spread of Rh–Si bond distances ranging from 2.44–2.59 Å. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to seven Y3+, one Rh3+, and one Si4- atom. The Si–Si bond length is 2.53 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to five Y3+, three equivalent Rh3+, and one Si4- atom. The Si–Si bond length is 2.60 Å. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to seven Y3+ and two Si4- atoms. The Si–Si bond length is 2.54 Å.
- 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:
- 1191681
- Report Number(s):
- mp-16225
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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