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Title: Materials Data on Mg8BPt4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1274639· OSTI ID:1274639

Mg8Pt4B crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to four equivalent Pt atoms. There are two shorter (2.70 Å) and two longer (3.02 Å) Mg–Pt bond lengths. In the second Mg site, Mg is bonded in a 8-coordinate geometry to six equivalent Pt and two equivalent B atoms. All Mg–Pt bond lengths are 2.80 Å. Both Mg–B bond lengths are 2.67 Å. Pt is bonded in a 10-coordinate geometry to nine Mg and one B atom. The Pt–B bond length is 2.12 Å. B is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Pt 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:
1274639
Report Number(s):
mp-568681
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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