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Title: Materials Data on NdGa4Co9 by Materials Project

Abstract

NdCo9Ga4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to sixteen Co and eight equivalent Ga atoms. There are eight shorter (3.34 Å) and eight longer (3.36 Å) Nd–Co bond lengths. All Nd–Ga bond lengths are 3.27 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a cuboctahedral geometry to eight Co and four equivalent Ga atoms. There are four shorter (2.41 Å) and four longer (2.46 Å) Co–Co bond lengths. All Co–Ga bond lengths are 2.51 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to two equivalent Nd, six Co, and four equivalent Ga atoms. There are a spread of Co–Co bond distances ranging from 2.34–2.72 Å. There are two shorter (2.55 Å) and two longer (2.62 Å) Co–Ga bond lengths. In the third Co site, Co is bonded in a 12-coordinate geometry to two equivalent Nd, six Co, and four equivalent Ga atoms. There are two shorter (2.54 Å) and one longer (2.56 Å) Co–Co bond lengths. There are a spread of Co–Ga bond distances ranging from 2.40–2.47 Å. Ga is bonded in a 11-coordinate geometrymore » to two equivalent Nd and nine Co atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1193230
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; NdGa4Co9; Co-Ga-Nd
OSTI Identifier:
1732929
DOI:
https://doi.org/10.17188/1732929

Citation Formats

The Materials Project. Materials Data on NdGa4Co9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1732929.
The Materials Project. Materials Data on NdGa4Co9 by Materials Project. United States. doi:https://doi.org/10.17188/1732929
The Materials Project. 2020. "Materials Data on NdGa4Co9 by Materials Project". United States. doi:https://doi.org/10.17188/1732929. https://www.osti.gov/servlets/purl/1732929. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1732929,
title = {Materials Data on NdGa4Co9 by Materials Project},
author = {The Materials Project},
abstractNote = {NdCo9Ga4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to sixteen Co and eight equivalent Ga atoms. There are eight shorter (3.34 Å) and eight longer (3.36 Å) Nd–Co bond lengths. All Nd–Ga bond lengths are 3.27 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a cuboctahedral geometry to eight Co and four equivalent Ga atoms. There are four shorter (2.41 Å) and four longer (2.46 Å) Co–Co bond lengths. All Co–Ga bond lengths are 2.51 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to two equivalent Nd, six Co, and four equivalent Ga atoms. There are a spread of Co–Co bond distances ranging from 2.34–2.72 Å. There are two shorter (2.55 Å) and two longer (2.62 Å) Co–Ga bond lengths. In the third Co site, Co is bonded in a 12-coordinate geometry to two equivalent Nd, six Co, and four equivalent Ga atoms. There are two shorter (2.54 Å) and one longer (2.56 Å) Co–Co bond lengths. There are a spread of Co–Ga bond distances ranging from 2.40–2.47 Å. Ga is bonded in a 11-coordinate geometry to two equivalent Nd and nine Co atoms.},
doi = {10.17188/1732929},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}