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Title: Materials Data on HfO2 by Materials Project

Abstract

HfO2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Hf4+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Hf–O bond lengths are 2.10 Å. O2- is bonded in a distorted trigonal planar geometry to three equivalent Hf4+ atoms.

Publication Date:
Other Number(s):
mp-776532
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; HfO2; Hf-O
OSTI Identifier:
1304309
DOI:
10.17188/1304309

Citation Formats

The Materials Project. Materials Data on HfO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1304309.
The Materials Project. Materials Data on HfO2 by Materials Project. United States. doi:10.17188/1304309.
The Materials Project. 2020. "Materials Data on HfO2 by Materials Project". United States. doi:10.17188/1304309. https://www.osti.gov/servlets/purl/1304309. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1304309,
title = {Materials Data on HfO2 by Materials Project},
author = {The Materials Project},
abstractNote = {HfO2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Hf4+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Hf–O bond lengths are 2.10 Å. O2- is bonded in a distorted trigonal planar geometry to three equivalent Hf4+ atoms.},
doi = {10.17188/1304309},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

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