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Title: Materials Data on NdGa2Ni by Materials Project

Abstract

NdNiGa2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to four equivalent Ni and ten Ga atoms. All Nd–Ni bond lengths are 3.20 Å. There are a spread of Nd–Ga bond distances ranging from 3.19–3.35 Å. Ni is bonded in a 10-coordinate geometry to four equivalent Nd, one Ni, and five Ga atoms. The Ni–Ni bond length is 2.57 Å. There are a spread of Ni–Ga bond distances ranging from 2.39–2.46 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Nd, four equivalent Ni, and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.96 Å. In the second Ga site, Ga is bonded in a 1-coordinate geometry to six equivalent Nd, one Ni, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.55 Å. In the third Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Nd, four equivalent Ni, and four equivalent Ga atoms.

Publication Date:
Other Number(s):
mp-11396
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; NdGa2Ni; Ga-Nd-Ni
OSTI Identifier:
1187797
DOI:
https://doi.org/10.17188/1187797

Citation Formats

The Materials Project. Materials Data on NdGa2Ni by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187797.
The Materials Project. Materials Data on NdGa2Ni by Materials Project. United States. doi:https://doi.org/10.17188/1187797
The Materials Project. 2020. "Materials Data on NdGa2Ni by Materials Project". United States. doi:https://doi.org/10.17188/1187797. https://www.osti.gov/servlets/purl/1187797. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1187797,
title = {Materials Data on NdGa2Ni by Materials Project},
author = {The Materials Project},
abstractNote = {NdNiGa2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to four equivalent Ni and ten Ga atoms. All Nd–Ni bond lengths are 3.20 Å. There are a spread of Nd–Ga bond distances ranging from 3.19–3.35 Å. Ni is bonded in a 10-coordinate geometry to four equivalent Nd, one Ni, and five Ga atoms. The Ni–Ni bond length is 2.57 Å. There are a spread of Ni–Ga bond distances ranging from 2.39–2.46 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Nd, four equivalent Ni, and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.96 Å. In the second Ga site, Ga is bonded in a 1-coordinate geometry to six equivalent Nd, one Ni, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.55 Å. In the third Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Nd, four equivalent Ni, and four equivalent Ga atoms.},
doi = {10.17188/1187797},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}