Materials Data on NaEr3 by Materials Project
NaEr3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a distorted body-centered cubic geometry to fourteen Er atoms. There are eight shorter (3.42 Å) and six longer (3.95 Å) Na–Er bond lengths. There are two inequivalent Er sites. In the first Er site, Er is bonded in a distorted body-centered cubic geometry to four equivalent Na and four equivalent Er atoms. All Er–Er bond lengths are 3.42 Å. In the second Er site, Er is bonded in a 8-coordinate geometry to six equivalent Na and eight equivalent Er 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:
- 1315210
- Report Number(s):
- mp-976405
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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