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Title: Materials Data on AsPdS by Materials Project

Abstract

PdAsS crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Pd4+ is bonded to three equivalent As2- and three equivalent S2- atoms to form PdAs3S3 octahedra that share corners with twelve equivalent PdAs3S3 octahedra, corners with three equivalent AsPd3S tetrahedra, and corners with three equivalent SAsPd3 tetrahedra. The corner-sharing octahedra tilt angles range from 65–66°. All Pd–As bond lengths are 2.53 Å. All Pd–S bond lengths are 2.54 Å. As2- is bonded to three equivalent Pd4+ and one S2- atom to form distorted AsPd3S tetrahedra that share corners with three equivalent PdAs3S3 octahedra, corners with six equivalent AsPd3S tetrahedra, and corners with nine equivalent SAsPd3 tetrahedra. The corner-sharing octahedral tilt angles are 76°. The As–S bond length is 2.29 Å. S2- is bonded to three equivalent Pd4+ and one As2- atom to form SAsPd3 tetrahedra that share corners with three equivalent PdAs3S3 octahedra, corners with six equivalent SAsPd3 tetrahedra, and corners with nine equivalent AsPd3S tetrahedra. The corner-sharing octahedral tilt angles are 77°.

Publication Date:
Other Number(s):
mp-10848
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; AsPdS; As-Pd-S
OSTI Identifier:
1187393
DOI:
10.17188/1187393

Citation Formats

The Materials Project. Materials Data on AsPdS by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187393.
The Materials Project. Materials Data on AsPdS by Materials Project. United States. doi:10.17188/1187393.
The Materials Project. 2020. "Materials Data on AsPdS by Materials Project". United States. doi:10.17188/1187393. https://www.osti.gov/servlets/purl/1187393. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1187393,
title = {Materials Data on AsPdS by Materials Project},
author = {The Materials Project},
abstractNote = {PdAsS crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Pd4+ is bonded to three equivalent As2- and three equivalent S2- atoms to form PdAs3S3 octahedra that share corners with twelve equivalent PdAs3S3 octahedra, corners with three equivalent AsPd3S tetrahedra, and corners with three equivalent SAsPd3 tetrahedra. The corner-sharing octahedra tilt angles range from 65–66°. All Pd–As bond lengths are 2.53 Å. All Pd–S bond lengths are 2.54 Å. As2- is bonded to three equivalent Pd4+ and one S2- atom to form distorted AsPd3S tetrahedra that share corners with three equivalent PdAs3S3 octahedra, corners with six equivalent AsPd3S tetrahedra, and corners with nine equivalent SAsPd3 tetrahedra. The corner-sharing octahedral tilt angles are 76°. The As–S bond length is 2.29 Å. S2- is bonded to three equivalent Pd4+ and one As2- atom to form SAsPd3 tetrahedra that share corners with three equivalent PdAs3S3 octahedra, corners with six equivalent SAsPd3 tetrahedra, and corners with nine equivalent AsPd3S tetrahedra. The corner-sharing octahedral tilt angles are 77°.},
doi = {10.17188/1187393},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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