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Title: Materials Data on As2Pd by Materials Project

Abstract

PdAs2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Pd4+ is bonded to six equivalent As2- atoms to form PdAs6 octahedra that share corners with twelve equivalent PdAs6 octahedra and corners with six equivalent AsAsPd3 tetrahedra. The corner-sharing octahedral tilt angles are 64°. All Pd–As bond lengths are 2.54 Å. As2- is bonded to three equivalent Pd4+ and one As2- atom to form AsAsPd3 tetrahedra that share corners with three equivalent PdAs6 octahedra and corners with fifteen equivalent AsAsPd3 tetrahedra. The corner-sharing octahedral tilt angles are 78°. The As–As bond length is 2.46 Å.

Publication Date:
Other Number(s):
mp-20465
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; As2Pd; As-Pd
OSTI Identifier:
1195595
DOI:
https://doi.org/10.17188/1195595

Citation Formats

The Materials Project. Materials Data on As2Pd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195595.
The Materials Project. Materials Data on As2Pd by Materials Project. United States. doi:https://doi.org/10.17188/1195595
The Materials Project. 2020. "Materials Data on As2Pd by Materials Project". United States. doi:https://doi.org/10.17188/1195595. https://www.osti.gov/servlets/purl/1195595. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1195595,
title = {Materials Data on As2Pd by Materials Project},
author = {The Materials Project},
abstractNote = {PdAs2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Pd4+ is bonded to six equivalent As2- atoms to form PdAs6 octahedra that share corners with twelve equivalent PdAs6 octahedra and corners with six equivalent AsAsPd3 tetrahedra. The corner-sharing octahedral tilt angles are 64°. All Pd–As bond lengths are 2.54 Å. As2- is bonded to three equivalent Pd4+ and one As2- atom to form AsAsPd3 tetrahedra that share corners with three equivalent PdAs6 octahedra and corners with fifteen equivalent AsAsPd3 tetrahedra. The corner-sharing octahedral tilt angles are 78°. The As–As bond length is 2.46 Å.},
doi = {10.17188/1195595},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}