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Title: Materials Data on ZrSiPt by Materials Project

Abstract

ZrPtSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr2+ is bonded to five equivalent Si4- atoms to form distorted ZrSi5 trigonal bipyramids that share corners with eight equivalent PtSi4 tetrahedra, corners with eight equivalent ZrSi5 trigonal bipyramids, edges with six equivalent PtSi4 tetrahedra, and edges with six equivalent ZrSi5 trigonal bipyramids. There are three shorter (2.78 Å) and two longer (2.86 Å) Zr–Si bond lengths. Pt2+ is bonded to four equivalent Si4- atoms to form PtSi4 tetrahedra that share corners with eight equivalent PtSi4 tetrahedra, corners with eight equivalent ZrSi5 trigonal bipyramids, edges with two equivalent PtSi4 tetrahedra, and edges with six equivalent ZrSi5 trigonal bipyramids. There are a spread of Pt–Si bond distances ranging from 2.50–2.58 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Zr2+ and four equivalent Pt2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-972187
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; ZrSiPt; Pt-Si-Zr
OSTI Identifier:
1313747
DOI:
https://doi.org/10.17188/1313747

Citation Formats

The Materials Project. Materials Data on ZrSiPt by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1313747.
The Materials Project. Materials Data on ZrSiPt by Materials Project. United States. doi:https://doi.org/10.17188/1313747
The Materials Project. 2020. "Materials Data on ZrSiPt by Materials Project". United States. doi:https://doi.org/10.17188/1313747. https://www.osti.gov/servlets/purl/1313747. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1313747,
title = {Materials Data on ZrSiPt by Materials Project},
author = {The Materials Project},
abstractNote = {ZrPtSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr2+ is bonded to five equivalent Si4- atoms to form distorted ZrSi5 trigonal bipyramids that share corners with eight equivalent PtSi4 tetrahedra, corners with eight equivalent ZrSi5 trigonal bipyramids, edges with six equivalent PtSi4 tetrahedra, and edges with six equivalent ZrSi5 trigonal bipyramids. There are three shorter (2.78 Å) and two longer (2.86 Å) Zr–Si bond lengths. Pt2+ is bonded to four equivalent Si4- atoms to form PtSi4 tetrahedra that share corners with eight equivalent PtSi4 tetrahedra, corners with eight equivalent ZrSi5 trigonal bipyramids, edges with two equivalent PtSi4 tetrahedra, and edges with six equivalent ZrSi5 trigonal bipyramids. There are a spread of Pt–Si bond distances ranging from 2.50–2.58 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Zr2+ and four equivalent Pt2+ atoms.},
doi = {10.17188/1313747},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}