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

Title: Materials Data on NdGa4Ni by Materials Project

Abstract

NdNiGa4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd is bonded in a 1-coordinate geometry to two equivalent Ni and thirteen Ga atoms. Both Nd–Ni bond lengths are 3.26 Å. There are a spread of Nd–Ga bond distances ranging from 2.96–3.34 Å. Ni is bonded in a 7-coordinate geometry to two equivalent Nd and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.34–2.54 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to four equivalent Nd and six Ga atoms. There are four shorter (2.90 Å) and two longer (2.94 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 2-coordinate geometry to three equivalent Nd, one Ni, and eight Ga atoms. All Ga–Ga bond lengths are 3.04 Å. In the third Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Nd, three equivalent Ni, and six Ga atoms. There are one shorter (2.59 Å) and two longer (2.96 Å) Ga–Ga bond lengths.

Publication Date:
Other Number(s):
mp-1102540
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; NdGa4Ni; Ga-Nd-Ni
OSTI Identifier:
1716869
DOI:
https://doi.org/10.17188/1716869

Citation Formats

The Materials Project. Materials Data on NdGa4Ni by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1716869.
The Materials Project. Materials Data on NdGa4Ni by Materials Project. United States. doi:https://doi.org/10.17188/1716869
The Materials Project. 2018. "Materials Data on NdGa4Ni by Materials Project". United States. doi:https://doi.org/10.17188/1716869. https://www.osti.gov/servlets/purl/1716869. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1716869,
title = {Materials Data on NdGa4Ni by Materials Project},
author = {The Materials Project},
abstractNote = {NdNiGa4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd is bonded in a 1-coordinate geometry to two equivalent Ni and thirteen Ga atoms. Both Nd–Ni bond lengths are 3.26 Å. There are a spread of Nd–Ga bond distances ranging from 2.96–3.34 Å. Ni is bonded in a 7-coordinate geometry to two equivalent Nd and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.34–2.54 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to four equivalent Nd and six Ga atoms. There are four shorter (2.90 Å) and two longer (2.94 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 2-coordinate geometry to three equivalent Nd, one Ni, and eight Ga atoms. All Ga–Ga bond lengths are 3.04 Å. In the third Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Nd, three equivalent Ni, and six Ga atoms. There are one shorter (2.59 Å) and two longer (2.96 Å) Ga–Ga bond lengths.},
doi = {10.17188/1716869},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}