U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs2Pd(IBr2)2 by Materials Project
Abstract
Cs2Pd(IBr2)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to four equivalent I1- and eight equivalent Br1- atoms. All Cs–I bond lengths are 4.43 Å. All Cs–Br bond lengths are 3.88 Å. Pd4+ is bonded in an octahedral geometry to two equivalent I1- and four equivalent Br1- atoms. Both Pd–I bond lengths are 3.13 Å. All Pd–Br bond lengths are 2.48 Å. I1- is bonded in a 1-coordinate geometry to four equivalent Cs1+, one Pd4+, one I1-, and eight equivalent Br1- atoms. The I–I bond length is 2.88 Å. There are four shorter (3.94 Å) and four longer (3.99 Å) I–Br bond lengths. Br1- is bonded in a distorted single-bond geometry to four equivalent Cs1+, one Pd4+, and four equivalent I1- atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-543024
- 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; Cs2Pd(IBr2)2; Br-Cs-I-Pd
- OSTI Identifier:
- 1266874
- DOI:
- https://doi.org/10.17188/1266874
Citation Formats
The Materials Project. Materials Data on Cs2Pd(IBr2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1266874.
The Materials Project. Materials Data on Cs2Pd(IBr2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1266874
The Materials Project. 2020.
"Materials Data on Cs2Pd(IBr2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1266874. https://www.osti.gov/servlets/purl/1266874. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1266874,
title = {Materials Data on Cs2Pd(IBr2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2Pd(IBr2)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to four equivalent I1- and eight equivalent Br1- atoms. All Cs–I bond lengths are 4.43 Å. All Cs–Br bond lengths are 3.88 Å. Pd4+ is bonded in an octahedral geometry to two equivalent I1- and four equivalent Br1- atoms. Both Pd–I bond lengths are 3.13 Å. All Pd–Br bond lengths are 2.48 Å. I1- is bonded in a 1-coordinate geometry to four equivalent Cs1+, one Pd4+, one I1-, and eight equivalent Br1- atoms. The I–I bond length is 2.88 Å. There are four shorter (3.94 Å) and four longer (3.99 Å) I–Br bond lengths. Br1- is bonded in a distorted single-bond geometry to four equivalent Cs1+, one Pd4+, and four equivalent I1- atoms.},
doi = {10.17188/1266874},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}