Materials Data on MgZr3 by Materials Project
MgZr3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a distorted body-centered cubic geometry to fourteen Zr atoms. There are eight shorter (3.07 Å) and six longer (3.55 Å) Mg–Zr bond lengths. There are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a distorted body-centered cubic geometry to six equivalent Mg and eight equivalent Zr atoms. All Zr–Zr bond lengths are 3.07 Å. In the second Zr site, Zr is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Zr 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:
- 1678486
- Report Number(s):
- mp-1094471
- Country of Publication:
- United States
- Language:
- English
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