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Title: Materials Data on ZrO2 by Materials Project

Abstract

ZrO2 is beta Vanadium nitride-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Zr4+ is bonded to six equivalent O2- atoms to form a mixture of distorted corner and edge-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles are 29°. There are four shorter (2.10 Å) and two longer (2.18 Å) Zr–O bond lengths. O2- is bonded in a 3-coordinate geometry to three equivalent Zr4+ atoms.

Publication Date:
Other Number(s):
mp-754403
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:
1289413
DOI:
https://doi.org/10.17188/1289413

Citation Formats

The Materials Project. Materials Data on ZrO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289413.
The Materials Project. Materials Data on ZrO2 by Materials Project. United States. doi:https://doi.org/10.17188/1289413
The Materials Project. 2020. "Materials Data on ZrO2 by Materials Project". United States. doi:https://doi.org/10.17188/1289413. https://www.osti.gov/servlets/purl/1289413. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1289413,
title = {Materials Data on ZrO2 by Materials Project},
author = {The Materials Project},
abstractNote = {ZrO2 is beta Vanadium nitride-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Zr4+ is bonded to six equivalent O2- atoms to form a mixture of distorted corner and edge-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles are 29°. There are four shorter (2.10 Å) and two longer (2.18 Å) Zr–O bond lengths. O2- is bonded in a 3-coordinate geometry to three equivalent Zr4+ atoms.},
doi = {10.17188/1289413},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}