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Materials Data on ZrAlW4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1704682· OSTI ID:1704682
ZrW4Al is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to twelve equivalent W and four equivalent Al atoms. All Zr–W bond lengths are 3.14 Å. All Zr–Al bond lengths are 3.27 Å. W is bonded to three equivalent Zr, six equivalent W, and three equivalent Al atoms to form a mixture of edge, face, and corner-sharing WZr3Al3W6 cuboctahedra. There are three shorter (2.66 Å) and three longer (2.68 Å) W–W bond lengths. All W–Al bond lengths are 3.13 Å. Al is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent W 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:
1704682
Report Number(s):
mp-1215252
Country of Publication:
United States
Language:
English

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