Materials Data on Ba3Pb5 by Materials Project
Abstract
Ba3Pb5 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 9-coordinate geometry to nine Pb atoms. There are a spread of Ba–Pb bond distances ranging from 3.57–3.97 Å. In the second Ba site, Ba is bonded in a 10-coordinate geometry to ten Pb atoms. There are a spread of Ba–Pb bond distances ranging from 3.67–3.92 Å. There are three inequivalent Pb sites. In the first Pb site, Pb is bonded in a 9-coordinate geometry to six Ba and three Pb atoms. All Pb–Pb bond lengths are 3.23 Å. In the second Pb site, Pb is bonded in a 6-coordinate geometry to six Ba and three Pb atoms. The Pb–Pb bond length is 3.35 Å. In the third Pb site, Pb is bonded in a 5-coordinate geometry to five Ba and four Pb atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-630923
- 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; Ba3Pb5; Ba-Pb
- OSTI Identifier:
- 1279026
- DOI:
- https://doi.org/10.17188/1279026
Citation Formats
The Materials Project. Materials Data on Ba3Pb5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1279026.
The Materials Project. Materials Data on Ba3Pb5 by Materials Project. United States. doi:https://doi.org/10.17188/1279026
The Materials Project. 2020.
"Materials Data on Ba3Pb5 by Materials Project". United States. doi:https://doi.org/10.17188/1279026. https://www.osti.gov/servlets/purl/1279026. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1279026,
title = {Materials Data on Ba3Pb5 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba3Pb5 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 9-coordinate geometry to nine Pb atoms. There are a spread of Ba–Pb bond distances ranging from 3.57–3.97 Å. In the second Ba site, Ba is bonded in a 10-coordinate geometry to ten Pb atoms. There are a spread of Ba–Pb bond distances ranging from 3.67–3.92 Å. There are three inequivalent Pb sites. In the first Pb site, Pb is bonded in a 9-coordinate geometry to six Ba and three Pb atoms. All Pb–Pb bond lengths are 3.23 Å. In the second Pb site, Pb is bonded in a 6-coordinate geometry to six Ba and three Pb atoms. The Pb–Pb bond length is 3.35 Å. In the third Pb site, Pb is bonded in a 5-coordinate geometry to five Ba and four Pb atoms.},
doi = {10.17188/1279026},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 17 00:00:00 EDT 2020},
month = {Fri Jul 17 00:00:00 EDT 2020}
}