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Title: Materials Data on GdAl2Ni by Materials Project

Abstract

GdNiAl2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a 1-coordinate geometry to three equivalent Ni and ten Al atoms. There are one shorter (2.81 Å) and two longer (3.07 Å) Gd–Ni bond lengths. There are a spread of Gd–Al bond distances ranging from 3.08–3.31 Å. In the second Gd site, Gd is bonded in a 1-coordinate geometry to three equivalent Ni and ten Al atoms. There are one shorter (2.82 Å) and two longer (3.06 Å) Gd–Ni bond lengths. There are a spread of Gd–Al bond distances ranging from 3.08–3.32 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Gd and six Al atoms. There are a spread of Ni–Al bond distances ranging from 2.48–2.53 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Gd and six Al atoms. There are a spread of Ni–Al bond distances ranging from 2.47–2.52 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to fivemore » Gd and three Ni atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to five Gd and three Ni atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to five Gd and three Ni atoms. In the fourth Al site, Al is bonded in a 3-coordinate geometry to five Gd and three Ni atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-630019
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; GdAl2Ni; Al-Gd-Ni
OSTI Identifier:
1278974
DOI:
10.17188/1278974

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on GdAl2Ni by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1278974.
Persson, Kristin, & Project, Materials. Materials Data on GdAl2Ni by Materials Project. United States. doi:10.17188/1278974.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on GdAl2Ni by Materials Project". United States. doi:10.17188/1278974. https://www.osti.gov/servlets/purl/1278974. Pub date:Tue Jun 20 00:00:00 EDT 2017
@article{osti_1278974,
title = {Materials Data on GdAl2Ni by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {GdNiAl2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a 1-coordinate geometry to three equivalent Ni and ten Al atoms. There are one shorter (2.81 Å) and two longer (3.07 Å) Gd–Ni bond lengths. There are a spread of Gd–Al bond distances ranging from 3.08–3.31 Å. In the second Gd site, Gd is bonded in a 1-coordinate geometry to three equivalent Ni and ten Al atoms. There are one shorter (2.82 Å) and two longer (3.06 Å) Gd–Ni bond lengths. There are a spread of Gd–Al bond distances ranging from 3.08–3.32 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Gd and six Al atoms. There are a spread of Ni–Al bond distances ranging from 2.48–2.53 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Gd and six Al atoms. There are a spread of Ni–Al bond distances ranging from 2.47–2.52 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to five Gd and three Ni atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to five Gd and three Ni atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to five Gd and three Ni atoms. In the fourth Al site, Al is bonded in a 3-coordinate geometry to five Gd and three Ni atoms.},
doi = {10.17188/1278974},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {6}
}

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