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Title: Materials Data on Ba(GaPt)2 by Materials Project

Abstract

Ba(PtGa)2 is alpha Pu-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ba is bonded in a 2-coordinate geometry to eight Pt and nine Ga atoms. There are a spread of Ba–Pt bond distances ranging from 3.32–4.01 Å. There are a spread of Ba–Ga bond distances ranging from 3.44–3.89 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 4-coordinate geometry to four equivalent Ba and four Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.47–2.56 Å. In the second Pt site, Pt is bonded in a 6-coordinate geometry to four equivalent Ba and four Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.49–2.59 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to four equivalent Ba and four Pt atoms. In the second Ga site, Ga is bonded in a 4-coordinate geometry to five equivalent Ba and four Pt atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-504985
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; Ba(GaPt)2; Ba-Ga-Pt
OSTI Identifier:
1262158
DOI:
10.17188/1262158

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ba(GaPt)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262158.
Persson, Kristin, & Project, Materials. Materials Data on Ba(GaPt)2 by Materials Project. United States. doi:10.17188/1262158.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ba(GaPt)2 by Materials Project". United States. doi:10.17188/1262158. https://www.osti.gov/servlets/purl/1262158. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1262158,
title = {Materials Data on Ba(GaPt)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ba(PtGa)2 is alpha Pu-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ba is bonded in a 2-coordinate geometry to eight Pt and nine Ga atoms. There are a spread of Ba–Pt bond distances ranging from 3.32–4.01 Å. There are a spread of Ba–Ga bond distances ranging from 3.44–3.89 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 4-coordinate geometry to four equivalent Ba and four Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.47–2.56 Å. In the second Pt site, Pt is bonded in a 6-coordinate geometry to four equivalent Ba and four Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.49–2.59 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to four equivalent Ba and four Pt atoms. In the second Ga site, Ga is bonded in a 4-coordinate geometry to five equivalent Ba and four Pt atoms.},
doi = {10.17188/1262158},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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