Materials Data on Ba3(AlPt)4 by Materials Project
Abstract
Ba3(PtAl)4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 4-coordinate geometry to six Pt and four Al atoms. There are a spread of Ba–Pt bond distances ranging from 3.41–3.59 Å. There are two shorter (3.51 Å) and two longer (3.60 Å) Ba–Al bond lengths. In the second Ba site, Ba is bonded in a 10-coordinate geometry to six Pt and four Al atoms. There are a spread of Ba–Pt bond distances ranging from 3.34–3.72 Å. All Ba–Al bond lengths are 3.42 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 4-coordinate geometry to five Ba and four Al atoms. There are a spread of Pt–Al bond distances ranging from 2.51–2.61 Å. In the second Pt site, Pt is bonded in a 7-coordinate geometry to four Ba and four Al atoms. There are a spread of Pt–Al bond distances ranging from 2.54–2.56 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to three Ba and four Pt atoms to form a mixture of distorted face, edge, and corner-sharingmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1190157
- 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; Ba3(AlPt)4; Al-Ba-Pt
- OSTI Identifier:
- 1727766
- DOI:
- https://doi.org/10.17188/1727766
Citation Formats
The Materials Project. Materials Data on Ba3(AlPt)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1727766.
The Materials Project. Materials Data on Ba3(AlPt)4 by Materials Project. United States. doi:https://doi.org/10.17188/1727766
The Materials Project. 2020.
"Materials Data on Ba3(AlPt)4 by Materials Project". United States. doi:https://doi.org/10.17188/1727766. https://www.osti.gov/servlets/purl/1727766. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1727766,
title = {Materials Data on Ba3(AlPt)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba3(PtAl)4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 4-coordinate geometry to six Pt and four Al atoms. There are a spread of Ba–Pt bond distances ranging from 3.41–3.59 Å. There are two shorter (3.51 Å) and two longer (3.60 Å) Ba–Al bond lengths. In the second Ba site, Ba is bonded in a 10-coordinate geometry to six Pt and four Al atoms. There are a spread of Ba–Pt bond distances ranging from 3.34–3.72 Å. All Ba–Al bond lengths are 3.42 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 4-coordinate geometry to five Ba and four Al atoms. There are a spread of Pt–Al bond distances ranging from 2.51–2.61 Å. In the second Pt site, Pt is bonded in a 7-coordinate geometry to four Ba and four Al atoms. There are a spread of Pt–Al bond distances ranging from 2.54–2.56 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to three Ba and four Pt atoms to form a mixture of distorted face, edge, and corner-sharing AlBa3Pt4 tetrahedra. In the second Al site, Al is bonded to three Ba and four Pt atoms to form a mixture of distorted face, edge, and corner-sharing AlBa3Pt4 tetrahedra.},
doi = {10.17188/1727766},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}