Materials Data on ThSi3Rh by Materials Project
ThRhSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to five equivalent Rh and twelve Si atoms. There are one shorter (3.33 Å) and four longer (3.39 Å) Th–Rh bond lengths. There are a spread of Th–Si bond distances ranging from 3.13–3.35 Å. Rh is bonded in a 5-coordinate geometry to five equivalent Th and five Si atoms. There are one shorter (2.38 Å) and four longer (2.39 Å) Rh–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted single-bond geometry to four equivalent Th and one Rh atom. In the second Si site, Si is bonded in a distorted bent 120 degrees geometry to four equivalent Th and two equivalent Rh 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:
- 1754273
- Report Number(s):
- mp-1070238
- Country of Publication:
- United States
- Language:
- English
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