skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Gd(Al3Ni)3 by Materials Project

Abstract

GdNi3Al9 crystallizes in the trigonal R32 space group. The structure is three-dimensional. Gd is bonded in a 11-coordinate geometry to six equivalent Ni and eleven Al atoms. There are three shorter (3.29 Å) and three longer (3.30 Å) Gd–Ni bond lengths. There are a spread of Gd–Al bond distances ranging from 3.00–3.17 Å. Ni is bonded in a 8-coordinate geometry to two equivalent Gd and eight Al atoms. There are a spread of Ni–Al bond distances ranging from 2.33–2.63 Å. There are six inequivalent Al sites. In the first Al site, Al is bonded in a distorted trigonal non-coplanar geometry to one Gd, three equivalent Ni, and seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.77–2.84 Å. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent Gd, two equivalent Ni, and six Al atoms. There are two shorter (2.63 Å) and four longer (2.81 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a linear geometry to two equivalent Ni and six Al atoms. There are two shorter (2.81 Å) and two longer (2.84 Å) Al–Al bond lengths. In the fourth Al site, Al ismore » bonded in a 3-coordinate geometry to two equivalent Gd, three equivalent Ni, and five Al atoms. There are one shorter (2.71 Å) and one longer (2.78 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ni and seven Al atoms. The Al–Al bond length is 2.87 Å. In the sixth Al site, Al is bonded in a distorted trigonal non-coplanar geometry to one Gd, three equivalent Ni, and seven Al atoms.« less

Publication Date:
Other Number(s):
mp-568693
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; Gd(Al3Ni)3; Al-Gd-Ni
OSTI Identifier:
1274646
DOI:
10.17188/1274646

Citation Formats

The Materials Project. Materials Data on Gd(Al3Ni)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274646.
The Materials Project. Materials Data on Gd(Al3Ni)3 by Materials Project. United States. doi:10.17188/1274646.
The Materials Project. 2020. "Materials Data on Gd(Al3Ni)3 by Materials Project". United States. doi:10.17188/1274646. https://www.osti.gov/servlets/purl/1274646. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1274646,
title = {Materials Data on Gd(Al3Ni)3 by Materials Project},
author = {The Materials Project},
abstractNote = {GdNi3Al9 crystallizes in the trigonal R32 space group. The structure is three-dimensional. Gd is bonded in a 11-coordinate geometry to six equivalent Ni and eleven Al atoms. There are three shorter (3.29 Å) and three longer (3.30 Å) Gd–Ni bond lengths. There are a spread of Gd–Al bond distances ranging from 3.00–3.17 Å. Ni is bonded in a 8-coordinate geometry to two equivalent Gd and eight Al atoms. There are a spread of Ni–Al bond distances ranging from 2.33–2.63 Å. There are six inequivalent Al sites. In the first Al site, Al is bonded in a distorted trigonal non-coplanar geometry to one Gd, three equivalent Ni, and seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.77–2.84 Å. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent Gd, two equivalent Ni, and six Al atoms. There are two shorter (2.63 Å) and four longer (2.81 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a linear geometry to two equivalent Ni and six Al atoms. There are two shorter (2.81 Å) and two longer (2.84 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded in a 3-coordinate geometry to two equivalent Gd, three equivalent Ni, and five Al atoms. There are one shorter (2.71 Å) and one longer (2.78 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ni and seven Al atoms. The Al–Al bond length is 2.87 Å. In the sixth Al site, Al is bonded in a distorted trigonal non-coplanar geometry to one Gd, three equivalent Ni, and seven Al atoms.},
doi = {10.17188/1274646},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: