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

Title: Materials Data on Cs2As2Pd by Materials Project

Abstract

Cs2PdAs2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six equivalent As3- atoms. There are two shorter (3.78 Å) and four longer (3.83 Å) Cs–As bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six equivalent As3- atoms. There are two shorter (3.69 Å) and four longer (4.03 Å) Cs–As bond lengths. Pd4+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent As3- atoms. All Pd–As bond lengths are 2.54 Å. As3- is bonded in a 9-coordinate geometry to six Cs1+, two equivalent Pd4+, and one As3- atom. The As–As bond length is 2.43 Å.

Authors:
Publication Date:
Other Number(s):
mp-8857
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; Cs2As2Pd; As-Cs-Pd
OSTI Identifier:
1312769
DOI:
https://doi.org/10.17188/1312769

Citation Formats

The Materials Project. Materials Data on Cs2As2Pd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1312769.
The Materials Project. Materials Data on Cs2As2Pd by Materials Project. United States. doi:https://doi.org/10.17188/1312769
The Materials Project. 2020. "Materials Data on Cs2As2Pd by Materials Project". United States. doi:https://doi.org/10.17188/1312769. https://www.osti.gov/servlets/purl/1312769. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1312769,
title = {Materials Data on Cs2As2Pd by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2PdAs2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six equivalent As3- atoms. There are two shorter (3.78 Å) and four longer (3.83 Å) Cs–As bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six equivalent As3- atoms. There are two shorter (3.69 Å) and four longer (4.03 Å) Cs–As bond lengths. Pd4+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent As3- atoms. All Pd–As bond lengths are 2.54 Å. As3- is bonded in a 9-coordinate geometry to six Cs1+, two equivalent Pd4+, and one As3- atom. The As–As bond length is 2.43 Å.},
doi = {10.17188/1312769},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}