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Title: Materials Data on ZrSiO2 by Materials Project

Abstract

ZrSiO2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Zr is bonded to six equivalent O atoms to form distorted edge-sharing ZrO6 octahedra. There are two shorter (2.22 Å) and four longer (2.25 Å) Zr–O bond lengths. Si is bonded in a square co-planar geometry to four equivalent O atoms. All Si–O bond lengths are 2.35 Å. O is bonded to three equivalent Zr and two equivalent Si atoms to form a mixture of distorted edge and corner-sharing OZr3Si2 trigonal bipyramids.

Authors:
Publication Date:
Other Number(s):
mp-1207403
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; ZrSiO2; O-Si-Zr
OSTI Identifier:
1753226
DOI:
https://doi.org/10.17188/1753226

Citation Formats

The Materials Project. Materials Data on ZrSiO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753226.
The Materials Project. Materials Data on ZrSiO2 by Materials Project. United States. doi:https://doi.org/10.17188/1753226
The Materials Project. 2020. "Materials Data on ZrSiO2 by Materials Project". United States. doi:https://doi.org/10.17188/1753226. https://www.osti.gov/servlets/purl/1753226. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1753226,
title = {Materials Data on ZrSiO2 by Materials Project},
author = {The Materials Project},
abstractNote = {ZrSiO2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Zr is bonded to six equivalent O atoms to form distorted edge-sharing ZrO6 octahedra. There are two shorter (2.22 Å) and four longer (2.25 Å) Zr–O bond lengths. Si is bonded in a square co-planar geometry to four equivalent O atoms. All Si–O bond lengths are 2.35 Å. O is bonded to three equivalent Zr and two equivalent Si atoms to form a mixture of distorted edge and corner-sharing OZr3Si2 trigonal bipyramids.},
doi = {10.17188/1753226},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}