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Title: Materials Data on Nd3Ga10Ni by Materials Project

Abstract

Nd3NiGa10 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to twelve Ga atoms to form a mixture of face and edge-sharing NdGa12 cuboctahedra. There are four shorter (3.24 Å) and eight longer (3.26 Å) Nd–Ga bond lengths. In the second Nd site, Nd is bonded in a 4-coordinate geometry to fourteen Ga atoms. There are a spread of Nd–Ga bond distances ranging from 3.16–3.43 Å. Ni is bonded in a body-centered cubic geometry to eight Ga atoms. All Ni–Ga bond lengths are 2.50 Å. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Nd and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.42–2.64 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six Nd and three Ga atoms. Both Ga–Ga bond lengths are 2.46 Å. In the third Ga site, Ga is bonded in a 9-coordinate geometry to six Nd and three Ga atoms. The Ga–Ga bond length is 2.45 Å. In the fourth Ga site, Ga is bonded inmore » a 2-coordinate geometry to two equivalent Nd, two equivalent Ni, and seven Ga atoms. There are one shorter (2.60 Å) and four longer (3.02 Å) Ga–Ga bond lengths. In the fifth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Nd, two equivalent Ni, and seven Ga atoms. The Ga–Ga bond length is 2.59 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1104426
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Nd3Ga10Ni; Ga-Nd-Ni
OSTI Identifier:
1748332
DOI:
https://doi.org/10.17188/1748332

Citation Formats

The Materials Project. Materials Data on Nd3Ga10Ni by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1748332.
The Materials Project. Materials Data on Nd3Ga10Ni by Materials Project. United States. doi:https://doi.org/10.17188/1748332
The Materials Project. 2020. "Materials Data on Nd3Ga10Ni by Materials Project". United States. doi:https://doi.org/10.17188/1748332. https://www.osti.gov/servlets/purl/1748332. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1748332,
title = {Materials Data on Nd3Ga10Ni by Materials Project},
author = {The Materials Project},
abstractNote = {Nd3NiGa10 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to twelve Ga atoms to form a mixture of face and edge-sharing NdGa12 cuboctahedra. There are four shorter (3.24 Å) and eight longer (3.26 Å) Nd–Ga bond lengths. In the second Nd site, Nd is bonded in a 4-coordinate geometry to fourteen Ga atoms. There are a spread of Nd–Ga bond distances ranging from 3.16–3.43 Å. Ni is bonded in a body-centered cubic geometry to eight Ga atoms. All Ni–Ga bond lengths are 2.50 Å. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Nd and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.42–2.64 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six Nd and three Ga atoms. Both Ga–Ga bond lengths are 2.46 Å. In the third Ga site, Ga is bonded in a 9-coordinate geometry to six Nd and three Ga atoms. The Ga–Ga bond length is 2.45 Å. In the fourth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Nd, two equivalent Ni, and seven Ga atoms. There are one shorter (2.60 Å) and four longer (3.02 Å) Ga–Ga bond lengths. In the fifth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Nd, two equivalent Ni, and seven Ga atoms. The Ga–Ga bond length is 2.59 Å.},
doi = {10.17188/1748332},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}