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Title: Materials Data on Nd3Ga2 by Materials Project

Abstract

Nd3Ga2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 4-coordinate geometry to six Ga atoms. There are a spread of Nd–Ga bond distances ranging from 3.03–3.83 Å. In the second Nd site, Nd is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of Nd–Ga bond distances ranging from 3.12–3.68 Å. In the third Nd site, Nd is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Nd–Ga bond distances ranging from 3.10–3.44 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 8-coordinate geometry to eight equivalent Nd atoms. In the second Ga site, Ga is bonded in a body-centered cubic geometry to eight equivalent Nd atoms. In the third Ga site, Ga is bonded in a 9-coordinate geometry to nine Nd atoms. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to nine Nd and one Ga atom. The Ga–Ga bond length is 2.87 Å.

Publication Date:
Other Number(s):
mp-1203103
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; Nd3Ga2; Ga-Nd
OSTI Identifier:
1729321
DOI:
https://doi.org/10.17188/1729321

Citation Formats

The Materials Project. Materials Data on Nd3Ga2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1729321.
The Materials Project. Materials Data on Nd3Ga2 by Materials Project. United States. doi:https://doi.org/10.17188/1729321
The Materials Project. 2020. "Materials Data on Nd3Ga2 by Materials Project". United States. doi:https://doi.org/10.17188/1729321. https://www.osti.gov/servlets/purl/1729321. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1729321,
title = {Materials Data on Nd3Ga2 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd3Ga2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 4-coordinate geometry to six Ga atoms. There are a spread of Nd–Ga bond distances ranging from 3.03–3.83 Å. In the second Nd site, Nd is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of Nd–Ga bond distances ranging from 3.12–3.68 Å. In the third Nd site, Nd is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Nd–Ga bond distances ranging from 3.10–3.44 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 8-coordinate geometry to eight equivalent Nd atoms. In the second Ga site, Ga is bonded in a body-centered cubic geometry to eight equivalent Nd atoms. In the third Ga site, Ga is bonded in a 9-coordinate geometry to nine Nd atoms. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to nine Nd and one Ga atom. The Ga–Ga bond length is 2.87 Å.},
doi = {10.17188/1729321},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}