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Title: Materials Data on CsPdCl3 by Materials Project

Abstract

CsPdCl3 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.66–3.91 Å. Pd2+ is bonded in a rectangular see-saw-like geometry to four Cl1- atoms. There are a spread of Pd–Cl bond distances ranging from 2.30–2.35 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two equivalent Cs1+ and two equivalent Pd2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Pd2+ atom. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four equivalent Cs1+ and one Pd2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-29882
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; CsPdCl3; Cl-Cs-Pd
OSTI Identifier:
1204316
DOI:
https://doi.org/10.17188/1204316

Citation Formats

The Materials Project. Materials Data on CsPdCl3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204316.
The Materials Project. Materials Data on CsPdCl3 by Materials Project. United States. doi:https://doi.org/10.17188/1204316
The Materials Project. 2020. "Materials Data on CsPdCl3 by Materials Project". United States. doi:https://doi.org/10.17188/1204316. https://www.osti.gov/servlets/purl/1204316. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1204316,
title = {Materials Data on CsPdCl3 by Materials Project},
author = {The Materials Project},
abstractNote = {CsPdCl3 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.66–3.91 Å. Pd2+ is bonded in a rectangular see-saw-like geometry to four Cl1- atoms. There are a spread of Pd–Cl bond distances ranging from 2.30–2.35 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two equivalent Cs1+ and two equivalent Pd2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Pd2+ atom. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four equivalent Cs1+ and one Pd2+ atom.},
doi = {10.17188/1204316},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}