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Title: Materials Data on ZrO2 by Materials Project

Abstract

ZrO2 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Zr4+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.09 Å) and four longer (2.44 Å) Zr–O bond lengths. O2- is bonded to four equivalent Zr4+ atoms to form a mixture of distorted edge and corner-sharing OZr4 tetrahedra.

Publication Date:
Other Number(s):
mp-2574
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; ZrO2; O-Zr
OSTI Identifier:
1200956
DOI:
https://doi.org/10.17188/1200956

Citation Formats

The Materials Project. Materials Data on ZrO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1200956.
The Materials Project. Materials Data on ZrO2 by Materials Project. United States. doi:https://doi.org/10.17188/1200956
The Materials Project. 2020. "Materials Data on ZrO2 by Materials Project". United States. doi:https://doi.org/10.17188/1200956. https://www.osti.gov/servlets/purl/1200956. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1200956,
title = {Materials Data on ZrO2 by Materials Project},
author = {The Materials Project},
abstractNote = {ZrO2 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Zr4+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.09 Å) and four longer (2.44 Å) Zr–O bond lengths. O2- is bonded to four equivalent Zr4+ atoms to form a mixture of distorted edge and corner-sharing OZr4 tetrahedra.},
doi = {10.17188/1200956},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}