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Title: Materials Data on AsPdSe by Materials Project

Abstract

PdAsSe crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Pd4+ is bonded to three equivalent As2- and three equivalent Se2- atoms to form PdAs3Se3 octahedra that share corners with twelve equivalent PdAs3Se3 octahedra, corners with three equivalent AsPd3Se tetrahedra, and corners with three equivalent SeAsPd3 tetrahedra. The corner-sharing octahedra tilt angles range from 64–65°. All Pd–As bond lengths are 2.55 Å. All Pd–Se bond lengths are 2.63 Å. As2- is bonded to three equivalent Pd4+ and one Se2- atom to form distorted AsPd3Se tetrahedra that share corners with three equivalent PdAs3Se3 octahedra, corners with six equivalent AsPd3Se tetrahedra, and corners with nine equivalent SeAsPd3 tetrahedra. The corner-sharing octahedral tilt angles are 77°. The As–Se bond length is 2.47 Å. Se2- is bonded to three equivalent Pd4+ and one As2- atom to form SeAsPd3 tetrahedra that share corners with three equivalent PdAs3Se3 octahedra, corners with six equivalent SeAsPd3 tetrahedra, and corners with nine equivalent AsPd3Se tetrahedra. The corner-sharing octahedral tilt angles are 78°.

Authors:
Publication Date:
Other Number(s):
mp-10849
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; AsPdSe; As-Pd-Se
OSTI Identifier:
1187394
DOI:
https://doi.org/10.17188/1187394

Citation Formats

The Materials Project. Materials Data on AsPdSe by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187394.
The Materials Project. Materials Data on AsPdSe by Materials Project. United States. doi:https://doi.org/10.17188/1187394
The Materials Project. 2020. "Materials Data on AsPdSe by Materials Project". United States. doi:https://doi.org/10.17188/1187394. https://www.osti.gov/servlets/purl/1187394. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1187394,
title = {Materials Data on AsPdSe by Materials Project},
author = {The Materials Project},
abstractNote = {PdAsSe crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Pd4+ is bonded to three equivalent As2- and three equivalent Se2- atoms to form PdAs3Se3 octahedra that share corners with twelve equivalent PdAs3Se3 octahedra, corners with three equivalent AsPd3Se tetrahedra, and corners with three equivalent SeAsPd3 tetrahedra. The corner-sharing octahedra tilt angles range from 64–65°. All Pd–As bond lengths are 2.55 Å. All Pd–Se bond lengths are 2.63 Å. As2- is bonded to three equivalent Pd4+ and one Se2- atom to form distorted AsPd3Se tetrahedra that share corners with three equivalent PdAs3Se3 octahedra, corners with six equivalent AsPd3Se tetrahedra, and corners with nine equivalent SeAsPd3 tetrahedra. The corner-sharing octahedral tilt angles are 77°. The As–Se bond length is 2.47 Å. Se2- is bonded to three equivalent Pd4+ and one As2- atom to form SeAsPd3 tetrahedra that share corners with three equivalent PdAs3Se3 octahedra, corners with six equivalent SeAsPd3 tetrahedra, and corners with nine equivalent AsPd3Se tetrahedra. The corner-sharing octahedral tilt angles are 78°.},
doi = {10.17188/1187394},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}