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Title: Materials Data on HfZrO4 by Materials Project

Abstract

HfZrO4 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Hf4+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.05 Å) and four longer (2.42 Å) Hf–O bond lengths. Zr4+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.13 Å) and four longer (2.35 Å) Zr–O bond lengths. O2- is bonded to two equivalent Hf4+ and two equivalent Zr4+ atoms to form a mixture of distorted corner and edge-sharing OHf2Zr2 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-754964
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; HfZrO4; Hf-O-Zr
OSTI Identifier:
1289648
DOI:
https://doi.org/10.17188/1289648

Citation Formats

The Materials Project. Materials Data on HfZrO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289648.
The Materials Project. Materials Data on HfZrO4 by Materials Project. United States. doi:https://doi.org/10.17188/1289648
The Materials Project. 2020. "Materials Data on HfZrO4 by Materials Project". United States. doi:https://doi.org/10.17188/1289648. https://www.osti.gov/servlets/purl/1289648. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1289648,
title = {Materials Data on HfZrO4 by Materials Project},
author = {The Materials Project},
abstractNote = {HfZrO4 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Hf4+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.05 Å) and four longer (2.42 Å) Hf–O bond lengths. Zr4+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.13 Å) and four longer (2.35 Å) Zr–O bond lengths. O2- is bonded to two equivalent Hf4+ and two equivalent Zr4+ atoms to form a mixture of distorted corner and edge-sharing OHf2Zr2 tetrahedra.},
doi = {10.17188/1289648},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}