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Title: Materials Data on Zr4NbGa3 by Materials Project

Abstract

Zr4NbGa3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Zr is bonded in a 6-coordinate geometry to two equivalent Nb and six Ga atoms. Both Zr–Nb bond lengths are 3.43 Å. There are a spread of Zr–Ga bond distances ranging from 2.87–3.09 Å. Nb is bonded in a 6-coordinate geometry to eight equivalent Zr, two equivalent Nb, and four equivalent Ga atoms. Both Nb–Nb bond lengths are 2.67 Å. All Nb–Ga bond lengths are 2.77 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to eight equivalent Zr and two equivalent Nb atoms. In the second Ga site, Ga is bonded in a 10-coordinate geometry to eight equivalent Zr and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.67 Å.

Publication Date:
Other Number(s):
mp-1105702
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; Zr4NbGa3; Ga-Nb-Zr
OSTI Identifier:
1651998
DOI:
https://doi.org/10.17188/1651998

Citation Formats

The Materials Project. Materials Data on Zr4NbGa3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1651998.
The Materials Project. Materials Data on Zr4NbGa3 by Materials Project. United States. doi:https://doi.org/10.17188/1651998
The Materials Project. 2020. "Materials Data on Zr4NbGa3 by Materials Project". United States. doi:https://doi.org/10.17188/1651998. https://www.osti.gov/servlets/purl/1651998. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1651998,
title = {Materials Data on Zr4NbGa3 by Materials Project},
author = {The Materials Project},
abstractNote = {Zr4NbGa3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Zr is bonded in a 6-coordinate geometry to two equivalent Nb and six Ga atoms. Both Zr–Nb bond lengths are 3.43 Å. There are a spread of Zr–Ga bond distances ranging from 2.87–3.09 Å. Nb is bonded in a 6-coordinate geometry to eight equivalent Zr, two equivalent Nb, and four equivalent Ga atoms. Both Nb–Nb bond lengths are 2.67 Å. All Nb–Ga bond lengths are 2.77 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to eight equivalent Zr and two equivalent Nb atoms. In the second Ga site, Ga is bonded in a 10-coordinate geometry to eight equivalent Zr and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.67 Å.},
doi = {10.17188/1651998},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}