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Title: Materials Data on ZrSiOs by Materials Project

Abstract

ZrOsSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr3+ is bonded to five equivalent Si4- atoms to form distorted ZrSi5 trigonal bipyramids that share corners with eight equivalent OsSi4 tetrahedra, corners with eight equivalent ZrSi5 trigonal bipyramids, edges with six equivalent OsSi4 tetrahedra, and edges with six equivalent ZrSi5 trigonal bipyramids. There are a spread of Zr–Si bond distances ranging from 2.81–2.89 Å. Os1+ is bonded to four equivalent Si4- atoms to form OsSi4 tetrahedra that share corners with eight equivalent OsSi4 tetrahedra, corners with eight equivalent ZrSi5 trigonal bipyramids, edges with two equivalent OsSi4 tetrahedra, and edges with six equivalent ZrSi5 trigonal bipyramids. There are a spread of Os–Si bond distances ranging from 2.46–2.53 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Zr3+ and four equivalent Os1+ atoms.

Publication Date:
Other Number(s):
mp-1103293
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; ZrSiOs; Os-Si-Zr
OSTI Identifier:
1666626
DOI:
https://doi.org/10.17188/1666626

Citation Formats

The Materials Project. Materials Data on ZrSiOs by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1666626.
The Materials Project. Materials Data on ZrSiOs by Materials Project. United States. doi:https://doi.org/10.17188/1666626
The Materials Project. 2020. "Materials Data on ZrSiOs by Materials Project". United States. doi:https://doi.org/10.17188/1666626. https://www.osti.gov/servlets/purl/1666626. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1666626,
title = {Materials Data on ZrSiOs by Materials Project},
author = {The Materials Project},
abstractNote = {ZrOsSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr3+ is bonded to five equivalent Si4- atoms to form distorted ZrSi5 trigonal bipyramids that share corners with eight equivalent OsSi4 tetrahedra, corners with eight equivalent ZrSi5 trigonal bipyramids, edges with six equivalent OsSi4 tetrahedra, and edges with six equivalent ZrSi5 trigonal bipyramids. There are a spread of Zr–Si bond distances ranging from 2.81–2.89 Å. Os1+ is bonded to four equivalent Si4- atoms to form OsSi4 tetrahedra that share corners with eight equivalent OsSi4 tetrahedra, corners with eight equivalent ZrSi5 trigonal bipyramids, edges with two equivalent OsSi4 tetrahedra, and edges with six equivalent ZrSi5 trigonal bipyramids. There are a spread of Os–Si bond distances ranging from 2.46–2.53 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Zr3+ and four equivalent Os1+ atoms.},
doi = {10.17188/1666626},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}