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

Title: Materials Data on BaPdS2 by Materials Project

Abstract

BaPdS2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba2+ is bonded in a distorted body-centered cubic geometry to eight equivalent S2- atoms. There are a spread of Ba–S bond distances ranging from 3.19–3.45 Å. Pd2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Pd–S bond lengths are 2.39 Å. S2- is bonded to four equivalent Ba2+ and two equivalent Pd2+ atoms to form a mixture of distorted face, edge, and corner-sharing SBa4Pd2 octahedra. The corner-sharing octahedra tilt angles range from 0–68°.

Authors:
Publication Date:
Other Number(s):
mp-4009
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; BaPdS2; Ba-Pd-S
OSTI Identifier:
1207726
DOI:
https://doi.org/10.17188/1207726

Citation Formats

The Materials Project. Materials Data on BaPdS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207726.
The Materials Project. Materials Data on BaPdS2 by Materials Project. United States. doi:https://doi.org/10.17188/1207726
The Materials Project. 2020. "Materials Data on BaPdS2 by Materials Project". United States. doi:https://doi.org/10.17188/1207726. https://www.osti.gov/servlets/purl/1207726. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1207726,
title = {Materials Data on BaPdS2 by Materials Project},
author = {The Materials Project},
abstractNote = {BaPdS2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba2+ is bonded in a distorted body-centered cubic geometry to eight equivalent S2- atoms. There are a spread of Ba–S bond distances ranging from 3.19–3.45 Å. Pd2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Pd–S bond lengths are 2.39 Å. S2- is bonded to four equivalent Ba2+ and two equivalent Pd2+ atoms to form a mixture of distorted face, edge, and corner-sharing SBa4Pd2 octahedra. The corner-sharing octahedra tilt angles range from 0–68°.},
doi = {10.17188/1207726},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}