Materials Data on Hf2Co3Si4 by Materials Project
Hf2Co3Si4 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Hf4+ is bonded in a 8-coordinate geometry to eight Si4- atoms. There are a spread of Hf–Si bond distances ranging from 2.74–3.04 Å. There are two inequivalent Co+2.67+ sites. In the first Co+2.67+ site, Co+2.67+ is bonded in a distorted pentagonal planar geometry to five Si4- atoms. There are a spread of Co–Si bond distances ranging from 2.32–2.41 Å. In the second Co+2.67+ site, Co+2.67+ is bonded in a 6-coordinate geometry to six Si4- atoms. There are a spread of Co–Si bond distances ranging from 2.29–2.48 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 12-coordinate geometry to four equivalent Hf4+ and five Co+2.67+ atoms. In the second Si4- site, Si4- is bonded in a 11-coordinate geometry to four equivalent Hf4+ and three Co+2.67+ 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:
- 1277594
- Report Number(s):
- mp-607990
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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