Materials Data on ThCo9Si2 by Materials Project
ThCo9Si2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Th is bonded in a 8-coordinate geometry to eighteen Co atoms. There are a spread of Th–Co bond distances ranging from 3.05–3.14 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 6-coordinate geometry to two equivalent Th, eight equivalent Co, and four equivalent Si atoms. All Co–Co bond lengths are 2.63 Å. All Co–Si bond lengths are 2.56 Å. In the second Co site, Co is bonded to two equivalent Th, eight Co, and two equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing CoTh2Co8Si2 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.41–2.63 Å. There are one shorter (2.35 Å) and one longer (2.38 Å) Co–Si bond lengths. Si is bonded in a 10-coordinate geometry to ten Co 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:
- 1192526
- Report Number(s):
- mp-17474
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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