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Title: Materials Data on HfH3 by Materials Project

Abstract

HfH3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Hf is bonded to twelve equivalent H atoms to form a mixture of distorted face and corner-sharing HfH12 cuboctahedra. There are a spread of Hf–H bond distances ranging from 2.02–2.38 Å. H is bonded in a distorted see-saw-like geometry to four equivalent Hf atoms.

Publication Date:
Other Number(s):
mp-1184675
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; HfH3; H-Hf
OSTI Identifier:
1651644
DOI:
https://doi.org/10.17188/1651644

Citation Formats

The Materials Project. Materials Data on HfH3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1651644.
The Materials Project. Materials Data on HfH3 by Materials Project. United States. doi:https://doi.org/10.17188/1651644
The Materials Project. 2020. "Materials Data on HfH3 by Materials Project". United States. doi:https://doi.org/10.17188/1651644. https://www.osti.gov/servlets/purl/1651644. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1651644,
title = {Materials Data on HfH3 by Materials Project},
author = {The Materials Project},
abstractNote = {HfH3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Hf is bonded to twelve equivalent H atoms to form a mixture of distorted face and corner-sharing HfH12 cuboctahedra. There are a spread of Hf–H bond distances ranging from 2.02–2.38 Å. H is bonded in a distorted see-saw-like geometry to four equivalent Hf atoms.},
doi = {10.17188/1651644},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}