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

Title: Materials Data on Gd(SiNi5)2 by Materials Project

Abstract

GdNi10Si2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Gd is bonded in a 8-coordinate geometry to sixteen Ni and four equivalent Si atoms. There are a spread of Gd–Ni bond distances ranging from 2.76–3.09 Å. All Gd–Si bond lengths are 3.12 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to one Gd, eleven Ni, and two equivalent Si atoms. There are a spread of Ni–Ni bond distances ranging from 2.36–2.91 Å. Both Ni–Si bond lengths are 2.53 Å. In the second Ni site, Ni is bonded in a 1-coordinate geometry to one Gd, eleven Ni, and two equivalent Si atoms. There are a spread of Ni–Ni bond distances ranging from 2.42–2.66 Å. Both Ni–Si bond lengths are 2.40 Å. In the third Ni site, Ni is bonded in a 12-coordinate geometry to two equivalent Gd, eight Ni, and two equivalent Si atoms. All Ni–Ni bond lengths are 2.41 Å. Both Ni–Si bond lengths are 2.56 Å. In the fourth Ni site, Ni is bonded to two equivalent Gd, eight Ni, and two equivalent Si atoms to form NiGd2Si2Ni8 cuboctahedra that share corners with four equivalentmore » SiGd2Ni10 cuboctahedra, corners with ten equivalent NiGd2Si2Ni8 cuboctahedra, edges with two equivalent SiGd2Ni10 cuboctahedra, edges with four equivalent NiGd2Si2Ni8 cuboctahedra, faces with four equivalent SiGd2Ni10 cuboctahedra, and faces with six equivalent NiGd2Si2Ni8 cuboctahedra. Both Ni–Ni bond lengths are 2.37 Å. Both Ni–Si bond lengths are 2.31 Å. Si is bonded to two equivalent Gd and ten Ni atoms to form SiGd2Ni10 cuboctahedra that share corners with six equivalent SiGd2Ni10 cuboctahedra, corners with eight equivalent NiGd2Si2Ni8 cuboctahedra, edges with three equivalent SiGd2Ni10 cuboctahedra, edges with four equivalent NiGd2Si2Ni8 cuboctahedra, a faceface with one SiGd2Ni10 cuboctahedra, and faces with eight equivalent NiGd2Si2Ni8 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-1225143
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(SiNi5)2; Gd-Ni-Si
OSTI Identifier:
1685343
DOI:
https://doi.org/10.17188/1685343

Citation Formats

The Materials Project. Materials Data on Gd(SiNi5)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685343.
The Materials Project. Materials Data on Gd(SiNi5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1685343
The Materials Project. 2020. "Materials Data on Gd(SiNi5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1685343. https://www.osti.gov/servlets/purl/1685343. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1685343,
title = {Materials Data on Gd(SiNi5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {GdNi10Si2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Gd is bonded in a 8-coordinate geometry to sixteen Ni and four equivalent Si atoms. There are a spread of Gd–Ni bond distances ranging from 2.76–3.09 Å. All Gd–Si bond lengths are 3.12 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to one Gd, eleven Ni, and two equivalent Si atoms. There are a spread of Ni–Ni bond distances ranging from 2.36–2.91 Å. Both Ni–Si bond lengths are 2.53 Å. In the second Ni site, Ni is bonded in a 1-coordinate geometry to one Gd, eleven Ni, and two equivalent Si atoms. There are a spread of Ni–Ni bond distances ranging from 2.42–2.66 Å. Both Ni–Si bond lengths are 2.40 Å. In the third Ni site, Ni is bonded in a 12-coordinate geometry to two equivalent Gd, eight Ni, and two equivalent Si atoms. All Ni–Ni bond lengths are 2.41 Å. Both Ni–Si bond lengths are 2.56 Å. In the fourth Ni site, Ni is bonded to two equivalent Gd, eight Ni, and two equivalent Si atoms to form NiGd2Si2Ni8 cuboctahedra that share corners with four equivalent SiGd2Ni10 cuboctahedra, corners with ten equivalent NiGd2Si2Ni8 cuboctahedra, edges with two equivalent SiGd2Ni10 cuboctahedra, edges with four equivalent NiGd2Si2Ni8 cuboctahedra, faces with four equivalent SiGd2Ni10 cuboctahedra, and faces with six equivalent NiGd2Si2Ni8 cuboctahedra. Both Ni–Ni bond lengths are 2.37 Å. Both Ni–Si bond lengths are 2.31 Å. Si is bonded to two equivalent Gd and ten Ni atoms to form SiGd2Ni10 cuboctahedra that share corners with six equivalent SiGd2Ni10 cuboctahedra, corners with eight equivalent NiGd2Si2Ni8 cuboctahedra, edges with three equivalent SiGd2Ni10 cuboctahedra, edges with four equivalent NiGd2Si2Ni8 cuboctahedra, a faceface with one SiGd2Ni10 cuboctahedra, and faces with eight equivalent NiGd2Si2Ni8 cuboctahedra.},
doi = {10.17188/1685343},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}