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Title: Materials Data on NdAl4Co by Materials Project

Abstract

NdCoAl4 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Nd is bonded in a 1-coordinate geometry to one Co and twelve Al atoms. The Nd–Co bond length is 2.98 Å. There are a spread of Nd–Al bond distances ranging from 3.10–3.27 Å. Co is bonded in a 9-coordinate geometry to one Nd and eight Al atoms. There are a spread of Co–Al bond distances ranging from 2.30–2.57 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a distorted linear geometry to two equivalent Nd, two equivalent Co, and eight Al atoms. There are four shorter (2.80 Å) and four longer (2.94 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 4-coordinate geometry to two equivalent Nd, two equivalent Co, and eight Al atoms. There are two shorter (2.73 Å) and two longer (3.04 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 12-coordinate geometry to four equivalent Nd, two equivalent Co, and six Al atoms. There are one shorter (2.76 Å) and one longer (2.95 Å) Al–Al bond lengths.

Publication Date:
Other Number(s):
mp-12896
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; NdAl4Co; Al-Co-Nd
OSTI Identifier:
1189251
DOI:
https://doi.org/10.17188/1189251

Citation Formats

The Materials Project. Materials Data on NdAl4Co by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1189251.
The Materials Project. Materials Data on NdAl4Co by Materials Project. United States. doi:https://doi.org/10.17188/1189251
The Materials Project. 2017. "Materials Data on NdAl4Co by Materials Project". United States. doi:https://doi.org/10.17188/1189251. https://www.osti.gov/servlets/purl/1189251. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1189251,
title = {Materials Data on NdAl4Co by Materials Project},
author = {The Materials Project},
abstractNote = {NdCoAl4 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Nd is bonded in a 1-coordinate geometry to one Co and twelve Al atoms. The Nd–Co bond length is 2.98 Å. There are a spread of Nd–Al bond distances ranging from 3.10–3.27 Å. Co is bonded in a 9-coordinate geometry to one Nd and eight Al atoms. There are a spread of Co–Al bond distances ranging from 2.30–2.57 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a distorted linear geometry to two equivalent Nd, two equivalent Co, and eight Al atoms. There are four shorter (2.80 Å) and four longer (2.94 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 4-coordinate geometry to two equivalent Nd, two equivalent Co, and eight Al atoms. There are two shorter (2.73 Å) and two longer (3.04 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 12-coordinate geometry to four equivalent Nd, two equivalent Co, and six Al atoms. There are one shorter (2.76 Å) and one longer (2.95 Å) Al–Al bond lengths.},
doi = {10.17188/1189251},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}