Title: Materials Data on SiPd3 by Materials Project

Abstract

Pd3Si is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a bent 120 degrees geometry to two equivalent Si atoms. There are one shorter (2.38 Å) and one longer (2.40 Å) Pd–Si bond lengths. In the second Pd site, Pd is bonded in a 3-coordinate geometry to three equivalent Si atoms. There are a spread of Pd–Si bond distances ranging from 2.38–2.60 Å. Si is bonded in a 8-coordinate geometry to eight Pd atoms.

Publication Date:
Other Number(s):
mp-20622
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; crystal structure; Pd-Si; SiPd3
OSTI Identifier:
1195757
DOI:
https://doi.org/10.17188/1195757

Citation Formats

Materials Data on SiPd3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195757.
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Materials Data on SiPd3 by Materials Project. United States. doi:https://doi.org/10.17188/1195757
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2020. "Materials Data on SiPd3 by Materials Project". United States. doi:https://doi.org/10.17188/1195757. https://www.osti.gov/servlets/purl/1195757. Pub date:Thu Jul 16 20:00:00 EDT 2020
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@article{osti_1195757,
title = {Materials Data on SiPd3 by Materials Project},
abstractNote = {Pd3Si is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a bent 120 degrees geometry to two equivalent Si atoms. There are one shorter (2.38 Å) and one longer (2.40 Å) Pd–Si bond lengths. In the second Pd site, Pd is bonded in a 3-coordinate geometry to three equivalent Si atoms. There are a spread of Pd–Si bond distances ranging from 2.38–2.60 Å. Si is bonded in a 8-coordinate geometry to eight Pd atoms.},
doi = {10.17188/1195757},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1195757
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