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

Title: Materials Data on Cs2PdSe8 by Materials Project

Abstract

Cs2PdSe8 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Se+0.50- atoms. There are a spread of Cs–Se bond distances ranging from 3.72–4.02 Å. Pd2+ is bonded in a rectangular see-saw-like geometry to four equivalent Se+0.50- atoms. All Pd–Se bond lengths are 2.47 Å. There are two inequivalent Se+0.50- sites. In the first Se+0.50- site, Se+0.50- is bonded in a 1-coordinate geometry to three equivalent Cs1+, one Pd2+, and one Se+0.50- atom. The Se–Se bond length is 2.37 Å. In the second Se+0.50- site, Se+0.50- is bonded in a 2-coordinate geometry to one Cs1+ and two Se+0.50- atoms. The Se–Se bond length is 2.42 Å.

Publication Date:
Other Number(s):
mp-31285
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; Cs2PdSe8; Cs-Pd-Se
OSTI Identifier:
1205559
DOI:
10.17188/1205559

Citation Formats

The Materials Project. Materials Data on Cs2PdSe8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205559.
The Materials Project. Materials Data on Cs2PdSe8 by Materials Project. United States. doi:10.17188/1205559.
The Materials Project. 2020. "Materials Data on Cs2PdSe8 by Materials Project". United States. doi:10.17188/1205559. https://www.osti.gov/servlets/purl/1205559. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1205559,
title = {Materials Data on Cs2PdSe8 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2PdSe8 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Se+0.50- atoms. There are a spread of Cs–Se bond distances ranging from 3.72–4.02 Å. Pd2+ is bonded in a rectangular see-saw-like geometry to four equivalent Se+0.50- atoms. All Pd–Se bond lengths are 2.47 Å. There are two inequivalent Se+0.50- sites. In the first Se+0.50- site, Se+0.50- is bonded in a 1-coordinate geometry to three equivalent Cs1+, one Pd2+, and one Se+0.50- atom. The Se–Se bond length is 2.37 Å. In the second Se+0.50- site, Se+0.50- is bonded in a 2-coordinate geometry to one Cs1+ and two Se+0.50- atoms. The Se–Se bond length is 2.42 Å.},
doi = {10.17188/1205559},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

Dataset:

Save / Share: