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Title: Materials Data on Er2Al3Cu by Materials Project

Abstract

Er2CuAl3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to four equivalent Er, three equivalent Cu, and nine equivalent Al atoms. There are one shorter (3.23 Å) and three longer (3.36 Å) Er–Er bond lengths. All Er–Cu bond lengths are 3.22 Å. There are three shorter (3.16 Å) and six longer (3.18 Å) Er–Al bond lengths. Cu is bonded to six equivalent Er and six equivalent Al atoms to form CuEr6Al6 cuboctahedra that share corners with six equivalent CuEr6Al6 cuboctahedra, corners with twelve equivalent AlEr6Al4Cu2 cuboctahedra, edges with six equivalent CuEr6Al6 cuboctahedra, and faces with eighteen equivalent AlEr6Al4Cu2 cuboctahedra. All Cu–Al bond lengths are 2.69 Å. Al is bonded to six equivalent Er, two equivalent Cu, and four equivalent Al atoms to form distorted AlEr6Al4Cu2 cuboctahedra that share corners with four equivalent CuEr6Al6 cuboctahedra, corners with fourteen equivalent AlEr6Al4Cu2 cuboctahedra, edges with six equivalent AlEr6Al4Cu2 cuboctahedra, faces with six equivalent CuEr6Al6 cuboctahedra, and faces with twelve equivalent AlEr6Al4Cu2 cuboctahedra. All Al–Al bond lengths are 2.74 Å.

Publication Date:
Other Number(s):
mp-1225048
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Er2Al3Cu; Al-Cu-Er
OSTI Identifier:
1749303
DOI:
https://doi.org/10.17188/1749303

Citation Formats

The Materials Project. Materials Data on Er2Al3Cu by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749303.
The Materials Project. Materials Data on Er2Al3Cu by Materials Project. United States. doi:https://doi.org/10.17188/1749303
The Materials Project. 2020. "Materials Data on Er2Al3Cu by Materials Project". United States. doi:https://doi.org/10.17188/1749303. https://www.osti.gov/servlets/purl/1749303. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1749303,
title = {Materials Data on Er2Al3Cu by Materials Project},
author = {The Materials Project},
abstractNote = {Er2CuAl3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to four equivalent Er, three equivalent Cu, and nine equivalent Al atoms. There are one shorter (3.23 Å) and three longer (3.36 Å) Er–Er bond lengths. All Er–Cu bond lengths are 3.22 Å. There are three shorter (3.16 Å) and six longer (3.18 Å) Er–Al bond lengths. Cu is bonded to six equivalent Er and six equivalent Al atoms to form CuEr6Al6 cuboctahedra that share corners with six equivalent CuEr6Al6 cuboctahedra, corners with twelve equivalent AlEr6Al4Cu2 cuboctahedra, edges with six equivalent CuEr6Al6 cuboctahedra, and faces with eighteen equivalent AlEr6Al4Cu2 cuboctahedra. All Cu–Al bond lengths are 2.69 Å. Al is bonded to six equivalent Er, two equivalent Cu, and four equivalent Al atoms to form distorted AlEr6Al4Cu2 cuboctahedra that share corners with four equivalent CuEr6Al6 cuboctahedra, corners with fourteen equivalent AlEr6Al4Cu2 cuboctahedra, edges with six equivalent AlEr6Al4Cu2 cuboctahedra, faces with six equivalent CuEr6Al6 cuboctahedra, and faces with twelve equivalent AlEr6Al4Cu2 cuboctahedra. All Al–Al bond lengths are 2.74 Å.},
doi = {10.17188/1749303},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}