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Title: Materials Data on Zr3Al by Materials Project

Abstract

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.

Authors:
Publication Date:
Other Number(s):
mp-1471
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Zr3Al; Al-Zr
OSTI Identifier:
1190845
DOI:
https://doi.org/10.17188/1190845

Citation Formats

The Materials Project. Materials Data on Zr3Al by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1190845.
The Materials Project. Materials Data on Zr3Al by Materials Project. United States. doi:https://doi.org/10.17188/1190845
The Materials Project. 2020. "Materials Data on Zr3Al by Materials Project". United States. doi:https://doi.org/10.17188/1190845. https://www.osti.gov/servlets/purl/1190845. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1190845,
title = {Materials Data on Zr3Al by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1190845},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}