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Title: Materials Data on Ga3Pb by Materials Project

Abstract

Ga3Pb is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Ga and four equivalent Pb atoms to form a mixture of distorted face, edge, and corner-sharing GaGa4Pb4 tetrahedra. All Ga–Ga bond lengths are 3.10 Å. All Ga–Pb bond lengths are 3.10 Å. In the second Ga site, Ga is bonded in a distorted q6 geometry to eight equivalent Ga and two equivalent Pb atoms. Both Ga–Pb bond lengths are 3.40 Å. Pb is bonded in a body-centered cubic geometry to ten Ga atoms.

Authors:
Publication Date:
Other Number(s):
mp-1184425
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; Ga3Pb; Ga-Pb
OSTI Identifier:
1687883
DOI:
https://doi.org/10.17188/1687883

Citation Formats

The Materials Project. Materials Data on Ga3Pb by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1687883.
The Materials Project. Materials Data on Ga3Pb by Materials Project. United States. doi:https://doi.org/10.17188/1687883
The Materials Project. 2020. "Materials Data on Ga3Pb by Materials Project". United States. doi:https://doi.org/10.17188/1687883. https://www.osti.gov/servlets/purl/1687883. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1687883,
title = {Materials Data on Ga3Pb by Materials Project},
author = {The Materials Project},
abstractNote = {Ga3Pb is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Ga and four equivalent Pb atoms to form a mixture of distorted face, edge, and corner-sharing GaGa4Pb4 tetrahedra. All Ga–Ga bond lengths are 3.10 Å. All Ga–Pb bond lengths are 3.10 Å. In the second Ga site, Ga is bonded in a distorted q6 geometry to eight equivalent Ga and two equivalent Pb atoms. Both Ga–Pb bond lengths are 3.40 Å. Pb is bonded in a body-centered cubic geometry to ten Ga atoms.},
doi = {10.17188/1687883},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}