DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Ba(RhPb2)3 by Materials Project

Abstract

Ba(RhPb2)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to eight Pb atoms. There are four shorter (3.61 Å) and four longer (3.64 Å) Ba–Pb bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 10-coordinate geometry to three equivalent Rh and seven Pb atoms. There are two shorter (3.09 Å) and one longer (3.18 Å) Rh–Rh bond lengths. There are a spread of Rh–Pb bond distances ranging from 2.77–3.05 Å. In the second Rh site, Rh is bonded in a 7-coordinate geometry to seven Pb atoms. There are a spread of Rh–Pb bond distances ranging from 2.69–2.87 Å. There are four inequivalent Pb sites. In the first Pb site, Pb is bonded in a 5-coordinate geometry to two equivalent Ba and three equivalent Rh atoms. In the second Pb site, Pb is bonded in a 4-coordinate geometry to two equivalent Ba and three equivalent Rh atoms. In the third Pb site, Pb is bonded in a 6-coordinate geometry to six equivalent Rh atoms. In the fourth Pb site, Pb is bonded in a 3-coordinate geometry to three Rh atoms.

Authors:
Publication Date:
Other Number(s):
mp-30432
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; Ba(RhPb2)3; Ba-Pb-Rh
OSTI Identifier:
1204841
DOI:
https://doi.org/10.17188/1204841

Citation Formats

The Materials Project. Materials Data on Ba(RhPb2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204841.
The Materials Project. Materials Data on Ba(RhPb2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1204841
The Materials Project. 2020. "Materials Data on Ba(RhPb2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1204841. https://www.osti.gov/servlets/purl/1204841. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1204841,
title = {Materials Data on Ba(RhPb2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba(RhPb2)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to eight Pb atoms. There are four shorter (3.61 Å) and four longer (3.64 Å) Ba–Pb bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 10-coordinate geometry to three equivalent Rh and seven Pb atoms. There are two shorter (3.09 Å) and one longer (3.18 Å) Rh–Rh bond lengths. There are a spread of Rh–Pb bond distances ranging from 2.77–3.05 Å. In the second Rh site, Rh is bonded in a 7-coordinate geometry to seven Pb atoms. There are a spread of Rh–Pb bond distances ranging from 2.69–2.87 Å. There are four inequivalent Pb sites. In the first Pb site, Pb is bonded in a 5-coordinate geometry to two equivalent Ba and three equivalent Rh atoms. In the second Pb site, Pb is bonded in a 4-coordinate geometry to two equivalent Ba and three equivalent Rh atoms. In the third Pb site, Pb is bonded in a 6-coordinate geometry to six equivalent Rh atoms. In the fourth Pb site, Pb is bonded in a 3-coordinate geometry to three Rh atoms.},
doi = {10.17188/1204841},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}