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Title: Materials Data on Gd2Ni7 by Materials Project

Abstract

Gd2Ni7 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are four inequivalent Gd sites. In the first Gd site, Gd is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are a spread of Gd–Ni bond distances ranging from 2.86–3.26 Å. In the second Gd site, Gd is bonded in a 12-coordinate geometry to twelve Ni atoms. There are a spread of Gd–Ni bond distances ranging from 2.82–3.10 Å. In the third Gd site, Gd is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are a spread of Gd–Ni bond distances ranging from 2.86–3.26 Å. In the fourth Gd site, Gd is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are a spread of Gd–Ni bond distances ranging from 2.86–3.26 Å. There are eight inequivalent Ni sites. In the first Ni site, Ni is bonded to four Gd and eight Ni atoms to form a mixture of edge, face, and corner-sharing NiGd4Ni8 cuboctahedra. Both Ni–Gd bond lengths are 3.08 Å. There are a spread of Ni–Ni bond distances ranging from 2.43–2.47 Å. In the second Ni site, Ni is bonded to four Gd and eight Ni atoms to form a mixturemore » of edge, face, and corner-sharing NiGd4Ni8 cuboctahedra. Both Ni–Gd bond lengths are 3.08 Å. There are a spread of Ni–Ni bond distances ranging from 2.43–2.47 Å. In the third Ni site, Ni is bonded to four Gd and eight Ni atoms to form NiGd4Ni8 cuboctahedra that share corners with sixteen NiGd5Ni7 cuboctahedra, edges with ten NiGd5Ni7 cuboctahedra, and faces with ten NiGd4Ni8 cuboctahedra. Both Ni–Gd bond lengths are 3.08 Å. There are two shorter (2.43 Å) and two longer (2.44 Å) Ni–Ni bond lengths. In the fourth Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Gd and six Ni atoms. All Ni–Ni bond lengths are 2.44 Å. In the fifth Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Gd and six Ni atoms. All Ni–Ni bond lengths are 2.45 Å. In the sixth Ni site, Ni is bonded to five Gd and seven Ni atoms to form a mixture of distorted edge, face, and corner-sharing NiGd5Ni7 cuboctahedra. There are four shorter (2.47 Å) and one longer (2.50 Å) Ni–Ni bond lengths. In the seventh Ni site, Ni is bonded to four equivalent Gd and eight Ni atoms to form NiGd4Ni8 cuboctahedra that share corners with sixteen NiGd4Ni8 cuboctahedra, edges with ten NiGd4Ni8 cuboctahedra, and faces with ten NiGd5Ni7 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.43–2.47 Å. In the eighth Ni site, Ni is bonded to six equivalent Gd and six equivalent Ni atoms to form NiGd6Ni6 cuboctahedra that share corners with twelve equivalent NiGd5Ni7 cuboctahedra, edges with six equivalent NiGd6Ni6 cuboctahedra, and faces with eighteen equivalent NiGd5Ni7 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-669713
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; Gd2Ni7; Gd-Ni
OSTI Identifier:
1281725
DOI:
10.17188/1281725

Citation Formats

The Materials Project. Materials Data on Gd2Ni7 by Materials Project. United States: N. p., 2013. Web. doi:10.17188/1281725.
The Materials Project. Materials Data on Gd2Ni7 by Materials Project. United States. doi:10.17188/1281725.
The Materials Project. 2013. "Materials Data on Gd2Ni7 by Materials Project". United States. doi:10.17188/1281725. https://www.osti.gov/servlets/purl/1281725. Pub date:Wed Oct 09 00:00:00 EDT 2013
@article{osti_1281725,
title = {Materials Data on Gd2Ni7 by Materials Project},
author = {The Materials Project},
abstractNote = {Gd2Ni7 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are four inequivalent Gd sites. In the first Gd site, Gd is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are a spread of Gd–Ni bond distances ranging from 2.86–3.26 Å. In the second Gd site, Gd is bonded in a 12-coordinate geometry to twelve Ni atoms. There are a spread of Gd–Ni bond distances ranging from 2.82–3.10 Å. In the third Gd site, Gd is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are a spread of Gd–Ni bond distances ranging from 2.86–3.26 Å. In the fourth Gd site, Gd is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are a spread of Gd–Ni bond distances ranging from 2.86–3.26 Å. There are eight inequivalent Ni sites. In the first Ni site, Ni is bonded to four Gd and eight Ni atoms to form a mixture of edge, face, and corner-sharing NiGd4Ni8 cuboctahedra. Both Ni–Gd bond lengths are 3.08 Å. There are a spread of Ni–Ni bond distances ranging from 2.43–2.47 Å. In the second Ni site, Ni is bonded to four Gd and eight Ni atoms to form a mixture of edge, face, and corner-sharing NiGd4Ni8 cuboctahedra. Both Ni–Gd bond lengths are 3.08 Å. There are a spread of Ni–Ni bond distances ranging from 2.43–2.47 Å. In the third Ni site, Ni is bonded to four Gd and eight Ni atoms to form NiGd4Ni8 cuboctahedra that share corners with sixteen NiGd5Ni7 cuboctahedra, edges with ten NiGd5Ni7 cuboctahedra, and faces with ten NiGd4Ni8 cuboctahedra. Both Ni–Gd bond lengths are 3.08 Å. There are two shorter (2.43 Å) and two longer (2.44 Å) Ni–Ni bond lengths. In the fourth Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Gd and six Ni atoms. All Ni–Ni bond lengths are 2.44 Å. In the fifth Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Gd and six Ni atoms. All Ni–Ni bond lengths are 2.45 Å. In the sixth Ni site, Ni is bonded to five Gd and seven Ni atoms to form a mixture of distorted edge, face, and corner-sharing NiGd5Ni7 cuboctahedra. There are four shorter (2.47 Å) and one longer (2.50 Å) Ni–Ni bond lengths. In the seventh Ni site, Ni is bonded to four equivalent Gd and eight Ni atoms to form NiGd4Ni8 cuboctahedra that share corners with sixteen NiGd4Ni8 cuboctahedra, edges with ten NiGd4Ni8 cuboctahedra, and faces with ten NiGd5Ni7 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.43–2.47 Å. In the eighth Ni site, Ni is bonded to six equivalent Gd and six equivalent Ni atoms to form NiGd6Ni6 cuboctahedra that share corners with twelve equivalent NiGd5Ni7 cuboctahedra, edges with six equivalent NiGd6Ni6 cuboctahedra, and faces with eighteen equivalent NiGd5Ni7 cuboctahedra.},
doi = {10.17188/1281725},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2013},
month = {10}
}

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