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Title: Materials Data on Zr3Al by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1190845· OSTI ID:1190845

Zr3Al is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zr is bonded to eight equivalent Zr and four equivalent Al atoms to form ZrZr8Al4 cuboctahedra that share corners with twelve equivalent ZrZr8Al4 cuboctahedra, edges with eight equivalent AlZr12 cuboctahedra, edges with sixteen equivalent ZrZr8Al4 cuboctahedra, faces with four equivalent AlZr12 cuboctahedra, and faces with fourteen equivalent ZrZr8Al4 cuboctahedra. All Zr–Zr bond lengths are 3.10 Å. All Zr–Al bond lengths are 3.10 Å. Al is bonded to twelve equivalent Zr atoms to form AlZr12 cuboctahedra that share corners with twelve equivalent AlZr12 cuboctahedra, edges with twenty-four equivalent ZrZr8Al4 cuboctahedra, faces with six equivalent AlZr12 cuboctahedra, and faces with twelve equivalent ZrZr8Al4 cuboctahedra.

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:
1190845
Report Number(s):
mp-1471
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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