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Title: Materials Data on Cu2Pd3Se4 by Materials Project

Abstract

Cu2Pd3Se4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four Se2- atoms. There are a spread of Pd–Se bond distances ranging from 2.48–2.53 Å. In the second Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four Se2- atoms. There are two shorter (2.52 Å) and two longer (2.53 Å) Pd–Se bond lengths. Cu1+ is bonded in a 2-coordinate geometry to four Se2- atoms. There are a spread of Cu–Se bond distances ranging from 2.45–2.88 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three Pd2+ and one Cu1+ atom to form distorted corner-sharing SeCuPd3 tetrahedra. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to three Pd2+ and three equivalent Cu1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1212900
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; Cu2Pd3Se4; Cu-Pd-Se
OSTI Identifier:
1672392
DOI:
https://doi.org/10.17188/1672392

Citation Formats

The Materials Project. Materials Data on Cu2Pd3Se4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672392.
The Materials Project. Materials Data on Cu2Pd3Se4 by Materials Project. United States. doi:https://doi.org/10.17188/1672392
The Materials Project. 2020. "Materials Data on Cu2Pd3Se4 by Materials Project". United States. doi:https://doi.org/10.17188/1672392. https://www.osti.gov/servlets/purl/1672392. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1672392,
title = {Materials Data on Cu2Pd3Se4 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu2Pd3Se4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four Se2- atoms. There are a spread of Pd–Se bond distances ranging from 2.48–2.53 Å. In the second Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four Se2- atoms. There are two shorter (2.52 Å) and two longer (2.53 Å) Pd–Se bond lengths. Cu1+ is bonded in a 2-coordinate geometry to four Se2- atoms. There are a spread of Cu–Se bond distances ranging from 2.45–2.88 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three Pd2+ and one Cu1+ atom to form distorted corner-sharing SeCuPd3 tetrahedra. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to three Pd2+ and three equivalent Cu1+ atoms.},
doi = {10.17188/1672392},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}