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Title: Materials Data on NbSiPd by Materials Project

Abstract

NbPdSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nb2+ is bonded to five equivalent Si4- atoms to form distorted NbSi5 trigonal bipyramids that share corners with eight equivalent PdSi4 tetrahedra, corners with eight equivalent NbSi5 trigonal bipyramids, edges with six equivalent PdSi4 tetrahedra, and edges with six equivalent NbSi5 trigonal bipyramids. There are a spread of Nb–Si bond distances ranging from 2.70–2.78 Å. Pd2+ is bonded to four equivalent Si4- atoms to form PdSi4 tetrahedra that share corners with eight equivalent PdSi4 tetrahedra, corners with eight equivalent NbSi5 trigonal bipyramids, edges with two equivalent PdSi4 tetrahedra, and edges with six equivalent NbSi5 trigonal bipyramids. There are three shorter (2.44 Å) and one longer (2.52 Å) Pd–Si bond lengths. Si4- is bonded in a 9-coordinate geometry to five equivalent Nb2+ and four equivalent Pd2+ atoms.

Publication Date:
Other Number(s):
mp-22722
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; NbSiPd; Nb-Pd-Si
OSTI Identifier:
1198926
DOI:
10.17188/1198926

Citation Formats

The Materials Project. Materials Data on NbSiPd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1198926.
The Materials Project. Materials Data on NbSiPd by Materials Project. United States. doi:10.17188/1198926.
The Materials Project. 2020. "Materials Data on NbSiPd by Materials Project". United States. doi:10.17188/1198926. https://www.osti.gov/servlets/purl/1198926. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1198926,
title = {Materials Data on NbSiPd by Materials Project},
author = {The Materials Project},
abstractNote = {NbPdSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nb2+ is bonded to five equivalent Si4- atoms to form distorted NbSi5 trigonal bipyramids that share corners with eight equivalent PdSi4 tetrahedra, corners with eight equivalent NbSi5 trigonal bipyramids, edges with six equivalent PdSi4 tetrahedra, and edges with six equivalent NbSi5 trigonal bipyramids. There are a spread of Nb–Si bond distances ranging from 2.70–2.78 Å. Pd2+ is bonded to four equivalent Si4- atoms to form PdSi4 tetrahedra that share corners with eight equivalent PdSi4 tetrahedra, corners with eight equivalent NbSi5 trigonal bipyramids, edges with two equivalent PdSi4 tetrahedra, and edges with six equivalent NbSi5 trigonal bipyramids. There are three shorter (2.44 Å) and one longer (2.52 Å) Pd–Si bond lengths. Si4- is bonded in a 9-coordinate geometry to five equivalent Nb2+ and four equivalent Pd2+ atoms.},
doi = {10.17188/1198926},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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