DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on ZrSiPd by Materials Project

Abstract

ZrPdSi 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 PdSi4 tetrahedra, corners with eight equivalent ZrSi5 trigonal bipyramids, edges with six equivalent PdSi4 tetrahedra, and edges with six equivalent ZrSi5 trigonal bipyramids. There are a spread of Zr–Si bond distances ranging from 2.78–2.85 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 ZrSi5 trigonal bipyramids, edges with two equivalent PdSi4 tetrahedra, and edges with six equivalent ZrSi5 trigonal bipyramids. There are a spread of Pd–Si bond distances ranging from 2.49–2.58 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Zr2+ and four equivalent Pd2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1103414
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; ZrSiPd; Pd-Si-Zr
OSTI Identifier:
1691043
DOI:
https://doi.org/10.17188/1691043

Citation Formats

The Materials Project. Materials Data on ZrSiPd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1691043.
The Materials Project. Materials Data on ZrSiPd by Materials Project. United States. doi:https://doi.org/10.17188/1691043
The Materials Project. 2020. "Materials Data on ZrSiPd by Materials Project". United States. doi:https://doi.org/10.17188/1691043. https://www.osti.gov/servlets/purl/1691043. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1691043,
title = {Materials Data on ZrSiPd by Materials Project},
author = {The Materials Project},
abstractNote = {ZrPdSi 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 PdSi4 tetrahedra, corners with eight equivalent ZrSi5 trigonal bipyramids, edges with six equivalent PdSi4 tetrahedra, and edges with six equivalent ZrSi5 trigonal bipyramids. There are a spread of Zr–Si bond distances ranging from 2.78–2.85 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 ZrSi5 trigonal bipyramids, edges with two equivalent PdSi4 tetrahedra, and edges with six equivalent ZrSi5 trigonal bipyramids. There are a spread of Pd–Si bond distances ranging from 2.49–2.58 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Zr2+ and four equivalent Pd2+ atoms.},
doi = {10.17188/1691043},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}