Materials Data on Y6Fe23 by Materials Project
Y6Fe23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to twelve Fe atoms. There are a spread of Y–Fe bond distances ranging from 2.91–3.05 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted q6 geometry to three equivalent Y and nine Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.47–2.60 Å. In the second Fe site, Fe is bonded in a body-centered cubic geometry to eight equivalent Fe atoms. All Fe–Fe bond lengths are 2.54 Å. In the third Fe site, Fe is bonded to four equivalent Y and eight Fe atoms to form a mixture of corner and face-sharing FeY4Fe8 cuboctahedra. All Fe–Fe bond lengths are 2.63 Å. In the fourth Fe site, Fe is bonded in a 10-coordinate geometry to three equivalent Y and ten Fe atoms. All Fe–Fe bond lengths are 2.94 Å.
- 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:
- 1205020
- Report Number(s):
- mp-30641
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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