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Title: Materials Data on Ca(AlZn)2 by Materials Project

Abstract

CaAl2Zn2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to eight equivalent Zn and eight equivalent Al atoms. All Ca–Zn bond lengths are 3.18 Å. All Ca–Al bond lengths are 3.51 Å. Zn is bonded in a 9-coordinate geometry to four equivalent Ca, one Zn, and four equivalent Al atoms. The Zn–Zn bond length is 2.48 Å. All Zn–Al bond lengths are 2.62 Å. Al is bonded to four equivalent Ca, four equivalent Zn, and four equivalent Al atoms to form a mixture of distorted edge, corner, and face-sharing AlCa4Al4Zn4 cuboctahedra. All Al–Al bond lengths are 2.93 Å.

Authors:
Publication Date:
Other Number(s):
mp-30175
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; Ca(AlZn)2; Al-Ca-Zn
OSTI Identifier:
1204591
DOI:
https://doi.org/10.17188/1204591

Citation Formats

The Materials Project. Materials Data on Ca(AlZn)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204591.
The Materials Project. Materials Data on Ca(AlZn)2 by Materials Project. United States. doi:https://doi.org/10.17188/1204591
The Materials Project. 2020. "Materials Data on Ca(AlZn)2 by Materials Project". United States. doi:https://doi.org/10.17188/1204591. https://www.osti.gov/servlets/purl/1204591. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1204591,
title = {Materials Data on Ca(AlZn)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CaAl2Zn2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to eight equivalent Zn and eight equivalent Al atoms. All Ca–Zn bond lengths are 3.18 Å. All Ca–Al bond lengths are 3.51 Å. Zn is bonded in a 9-coordinate geometry to four equivalent Ca, one Zn, and four equivalent Al atoms. The Zn–Zn bond length is 2.48 Å. All Zn–Al bond lengths are 2.62 Å. Al is bonded to four equivalent Ca, four equivalent Zn, and four equivalent Al atoms to form a mixture of distorted edge, corner, and face-sharing AlCa4Al4Zn4 cuboctahedra. All Al–Al bond lengths are 2.93 Å.},
doi = {10.17188/1204591},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}