Materials Data on Ce4(Si3Rh)3 by Materials Project
Ce4(RhSi3)3 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are four inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded in a 10-coordinate geometry to ten Si+3.11- atoms. There are a spread of Ce–Si bond distances ranging from 3.09–3.26 Å. In the second Ce4+ site, Ce4+ is bonded in a 10-coordinate geometry to ten Si+3.11- atoms. There are a spread of Ce–Si bond distances ranging from 3.10–3.22 Å. In the third Ce4+ site, Ce4+ is bonded in a 8-coordinate geometry to fourteen Si+3.11- atoms. There are a spread of Ce–Si bond distances ranging from 3.12–3.26 Å. In the fourth Ce4+ site, Ce4+ is bonded in a 10-coordinate geometry to ten Si+3.11- atoms. There are a spread of Ce–Si bond distances ranging from 3.19–3.22 Å. There are three inequivalent Rh4+ sites. In the first Rh4+ site, Rh4+ is bonded in a 5-coordinate geometry to five Si+3.11- atoms. There are one shorter (2.37 Å) and four longer (2.42 Å) Rh–Si bond lengths. In the second Rh4+ site, Rh4+ is bonded in a 5-coordinate geometry to five Si+3.11- atoms. There are four shorter (2.35 Å) and one longer (2.41 Å) Rh–Si bond lengths. In the third Rh4+ site, Rh4+ is bonded in a 5-coordinate geometry to five Si+3.11- atoms. There are one shorter (2.35 Å) and four longer (2.42 Å) Rh–Si bond lengths. There are nine inequivalent Si+3.11- sites. In the first Si+3.11- site, Si+3.11- is bonded in a 9-coordinate geometry to six Ce4+ and three Si+3.11- atoms. There are one shorter (2.31 Å) and two longer (2.38 Å) Si–Si bond lengths. In the second Si+3.11- site, Si+3.11- is bonded in a distorted single-bond geometry to six Ce4+, one Rh4+, and two equivalent Si+3.11- atoms. Both Si–Si bond lengths are 2.45 Å. In the third Si+3.11- site, Si+3.11- is bonded in a distorted single-bond geometry to six Ce4+, one Rh4+, and two equivalent Si+3.11- atoms. In the fourth Si+3.11- site, Si+3.11- is bonded in a distorted single-bond geometry to six Ce4+, one Rh4+, and two equivalent Si+3.11- atoms. In the fifth Si+3.11- site, Si+3.11- is bonded in a distorted bent 120 degrees geometry to four Ce4+, two equivalent Rh4+, and two equivalent Si+3.11- atoms. Both Si–Si bond lengths are 2.50 Å. In the sixth Si+3.11- site, Si+3.11- is bonded in a 4-coordinate geometry to four Ce4+ and four Rh4+ atoms. In the seventh Si+3.11- site, Si+3.11- is bonded in a distorted bent 120 degrees geometry to four Ce4+, two equivalent Rh4+, and two equivalent Si+3.11- atoms. Both Si–Si bond lengths are 2.51 Å. In the eighth Si+3.11- site, Si+3.11- is bonded in a 4-coordinate geometry to four Ce4+ and four Rh4+ atoms. In the ninth Si+3.11- site, Si+3.11- is bonded in a 9-coordinate geometry to four equivalent Ce4+ and five Si+3.11- 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:
- 1713350
- Report Number(s):
- mp-1226886
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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