Materials Data on Ce2Si5Rh3 by Materials Project
Ce2Rh3Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Ce4+ is bonded in a 10-coordinate geometry to ten Si4- atoms. There are a spread of Ce–Si bond distances ranging from 3.02–3.23 Å. There are two inequivalent Rh4+ sites. In the first Rh4+ site, Rh4+ is bonded in a distorted hexagonal planar geometry to six Si4- atoms. There are four shorter (2.45 Å) and two longer (2.62 Å) Rh–Si bond lengths. In the second Rh4+ site, Rh4+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Rh–Si bond distances ranging from 2.37–2.45 Å. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 4-coordinate geometry to four equivalent Ce4+ and four equivalent Rh4+ atoms. In the second Si4- site, Si4- is bonded in a 2-coordinate geometry to four equivalent Ce4+, three Rh4+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.52 Å. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Ce4+, three Rh4+, and two equivalent Si4- atoms.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1651655
- Report Number(s):
- mp-1188214
- Country of Publication:
- United States
- Language:
- English
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