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Title: Materials Data on Cs2PdI6 by Materials Project

Abstract

Cs2PdI6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent I1- atoms to form CsI12 cuboctahedra that share corners with twelve equivalent CsI12 cuboctahedra, faces with six equivalent CsI12 cuboctahedra, and faces with four equivalent PdI6 octahedra. All Cs–I bond lengths are 4.16 Å. Pd4+ is bonded to six equivalent I1- atoms to form PdI6 octahedra that share faces with eight equivalent CsI12 cuboctahedra. All Pd–I bond lengths are 2.72 Å. I1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Pd4+ atom.

Publication Date:
Other Number(s):
mp-569066
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Cs2PdI6; Cs-I-Pd
OSTI Identifier:
1274916
DOI:
10.17188/1274916

Citation Formats

The Materials Project. Materials Data on Cs2PdI6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274916.
The Materials Project. Materials Data on Cs2PdI6 by Materials Project. United States. doi:10.17188/1274916.
The Materials Project. 2020. "Materials Data on Cs2PdI6 by Materials Project". United States. doi:10.17188/1274916. https://www.osti.gov/servlets/purl/1274916. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1274916,
title = {Materials Data on Cs2PdI6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2PdI6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent I1- atoms to form CsI12 cuboctahedra that share corners with twelve equivalent CsI12 cuboctahedra, faces with six equivalent CsI12 cuboctahedra, and faces with four equivalent PdI6 octahedra. All Cs–I bond lengths are 4.16 Å. Pd4+ is bonded to six equivalent I1- atoms to form PdI6 octahedra that share faces with eight equivalent CsI12 cuboctahedra. All Pd–I bond lengths are 2.72 Å. I1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Pd4+ atom.},
doi = {10.17188/1274916},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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