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Title: Materials Data on Mg3Zr by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1690929· OSTI ID:1690929

Mg3Zr is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted body-centered cubic geometry to eight equivalent Mg and six equivalent Zr atoms. All Mg–Mg bond lengths are 3.05 Å. All Mg–Zr bond lengths are 3.53 Å. In the second Mg site, Mg is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Zr atoms. All Mg–Zr bond lengths are 3.05 Å. Zr is bonded in a distorted body-centered cubic geometry to fourteen Mg 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:
1690929
Report Number(s):
mp-1094467
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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