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Title: Materials Data on Cs2Pd(IBr2)2 by Materials Project

Abstract

Cs2Pd(IBr2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Cs1+ is bonded in a 11-coordinate geometry to three equivalent I1- and eight equivalent Br1- atoms. There are one shorter (4.27 Å) and two longer (4.31 Å) Cs–I bond lengths. There are a spread of Cs–Br bond distances ranging from 3.79–3.96 Å. Pd4+ is bonded in an octahedral geometry to two equivalent I1- and four equivalent Br1- atoms. Both Pd–I bond lengths are 3.15 Å. All Pd–Br bond lengths are 2.48 Å. I1- is bonded in a 1-coordinate geometry to three equivalent Cs1+, one Pd4+, one I1-, and eight equivalent Br1- atoms. The I–I bond length is 2.87 Å. There are a spread of I–Br bond distances ranging from 3.89–4.04 Å. Br1- is bonded in a 1-coordinate geometry to four equivalent Cs1+, one Pd4+, and four equivalent I1- atoms.

Publication Date:
Other Number(s):
mp-23099
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; Cs2Pd(IBr2)2; Br-Cs-I-Pd
OSTI Identifier:
1199236
DOI:
https://doi.org/10.17188/1199236

Citation Formats

The Materials Project. Materials Data on Cs2Pd(IBr2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199236.
The Materials Project. Materials Data on Cs2Pd(IBr2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1199236
The Materials Project. 2020. "Materials Data on Cs2Pd(IBr2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1199236. https://www.osti.gov/servlets/purl/1199236. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1199236,
title = {Materials Data on Cs2Pd(IBr2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2Pd(IBr2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Cs1+ is bonded in a 11-coordinate geometry to three equivalent I1- and eight equivalent Br1- atoms. There are one shorter (4.27 Å) and two longer (4.31 Å) Cs–I bond lengths. There are a spread of Cs–Br bond distances ranging from 3.79–3.96 Å. Pd4+ is bonded in an octahedral geometry to two equivalent I1- and four equivalent Br1- atoms. Both Pd–I bond lengths are 3.15 Å. All Pd–Br bond lengths are 2.48 Å. I1- is bonded in a 1-coordinate geometry to three equivalent Cs1+, one Pd4+, one I1-, and eight equivalent Br1- atoms. The I–I bond length is 2.87 Å. There are a spread of I–Br bond distances ranging from 3.89–4.04 Å. Br1- is bonded in a 1-coordinate geometry to four equivalent Cs1+, one Pd4+, and four equivalent I1- atoms.},
doi = {10.17188/1199236},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}