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Title: Materials Data on NbSiPt by Materials Project

Abstract

NbPtSi 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 PtSi4 tetrahedra, corners with eight equivalent NbSi5 trigonal bipyramids, edges with six equivalent PtSi4 tetrahedra, and edges with six equivalent NbSi5 trigonal bipyramids. There are a spread of Nb–Si bond distances ranging from 2.67–2.81 Å. Pt2+ is bonded to four equivalent Si4- atoms to form PtSi4 tetrahedra that share corners with eight equivalent PtSi4 tetrahedra, corners with eight equivalent NbSi5 trigonal bipyramids, edges with two equivalent PtSi4 tetrahedra, and edges with six equivalent NbSi5 trigonal bipyramids. There are a spread of Pt–Si bond distances ranging from 2.42–2.53 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Nb2+ and four equivalent Pt2+ atoms.

Publication Date:
Other Number(s):
mp-10469
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; NbSiPt; Nb-Pt-Si
OSTI Identifier:
1187141
DOI:
10.17188/1187141

Citation Formats

The Materials Project. Materials Data on NbSiPt by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187141.
The Materials Project. Materials Data on NbSiPt by Materials Project. United States. doi:10.17188/1187141.
The Materials Project. 2020. "Materials Data on NbSiPt by Materials Project". United States. doi:10.17188/1187141. https://www.osti.gov/servlets/purl/1187141. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1187141,
title = {Materials Data on NbSiPt by Materials Project},
author = {The Materials Project},
abstractNote = {NbPtSi 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 PtSi4 tetrahedra, corners with eight equivalent NbSi5 trigonal bipyramids, edges with six equivalent PtSi4 tetrahedra, and edges with six equivalent NbSi5 trigonal bipyramids. There are a spread of Nb–Si bond distances ranging from 2.67–2.81 Å. Pt2+ is bonded to four equivalent Si4- atoms to form PtSi4 tetrahedra that share corners with eight equivalent PtSi4 tetrahedra, corners with eight equivalent NbSi5 trigonal bipyramids, edges with two equivalent PtSi4 tetrahedra, and edges with six equivalent NbSi5 trigonal bipyramids. There are a spread of Pt–Si bond distances ranging from 2.42–2.53 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Nb2+ and four equivalent Pt2+ atoms.},
doi = {10.17188/1187141},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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