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Title: Materials Data on Nd(Al4Co)2 by Materials Project

Abstract

NdCo2Al8 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Nd is bonded in a 11-coordinate geometry to thirteen Al atoms. There are a spread of Nd–Al bond distances ranging from 3.14–3.36 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Co–Al bond distances ranging from 2.34–2.57 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Co–Al bond distances ranging from 2.35–2.60 Å. There are nine inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent Nd, two equivalent Co, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.69–3.02 Å. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent Nd, two equivalent Co, and three Al atoms. The Al–Al bond length is 2.69 Å. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Nd, two equivalent Co, and two Al atoms. The Al–Al bond length is 2.71 Å. In themore » fourth Al site, Al is bonded in a distorted linear geometry to two equivalent Nd, two equivalent Co, and four equivalent Al atoms. In the fifth Al site, Al is bonded in a 3-coordinate geometry to three Co atoms. In the sixth Al site, Al is bonded in a distorted linear geometry to two equivalent Nd, two Co, and six Al atoms. There are two shorter (2.82 Å) and two longer (2.86 Å) Al–Al bond lengths. In the seventh Al site, Al is bonded in a 2-coordinate geometry to two equivalent Nd, two equivalent Co, and six Al atoms. There are one shorter (2.65 Å) and one longer (2.71 Å) Al–Al bond lengths. In the eighth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Nd, two equivalent Co, and five Al atoms. The Al–Al bond length is 2.64 Å. In the ninth Al site, Al is bonded in a 12-coordinate geometry to four equivalent Co and four Al atoms.« less

Publication Date:
Other Number(s):
mp-569832
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; Nd(Al4Co)2; Al-Co-Nd
OSTI Identifier:
1275287
DOI:
10.17188/1275287

Citation Formats

The Materials Project. Materials Data on Nd(Al4Co)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275287.
The Materials Project. Materials Data on Nd(Al4Co)2 by Materials Project. United States. doi:10.17188/1275287.
The Materials Project. 2020. "Materials Data on Nd(Al4Co)2 by Materials Project". United States. doi:10.17188/1275287. https://www.osti.gov/servlets/purl/1275287. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1275287,
title = {Materials Data on Nd(Al4Co)2 by Materials Project},
author = {The Materials Project},
abstractNote = {NdCo2Al8 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Nd is bonded in a 11-coordinate geometry to thirteen Al atoms. There are a spread of Nd–Al bond distances ranging from 3.14–3.36 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Co–Al bond distances ranging from 2.34–2.57 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Co–Al bond distances ranging from 2.35–2.60 Å. There are nine inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent Nd, two equivalent Co, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.69–3.02 Å. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent Nd, two equivalent Co, and three Al atoms. The Al–Al bond length is 2.69 Å. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Nd, two equivalent Co, and two Al atoms. The Al–Al bond length is 2.71 Å. In the fourth Al site, Al is bonded in a distorted linear geometry to two equivalent Nd, two equivalent Co, and four equivalent Al atoms. In the fifth Al site, Al is bonded in a 3-coordinate geometry to three Co atoms. In the sixth Al site, Al is bonded in a distorted linear geometry to two equivalent Nd, two Co, and six Al atoms. There are two shorter (2.82 Å) and two longer (2.86 Å) Al–Al bond lengths. In the seventh Al site, Al is bonded in a 2-coordinate geometry to two equivalent Nd, two equivalent Co, and six Al atoms. There are one shorter (2.65 Å) and one longer (2.71 Å) Al–Al bond lengths. In the eighth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Nd, two equivalent Co, and five Al atoms. The Al–Al bond length is 2.64 Å. In the ninth Al site, Al is bonded in a 12-coordinate geometry to four equivalent Co and four Al atoms.},
doi = {10.17188/1275287},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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