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Title: Materials Data on ThZr2H7 by Materials Project

Abstract

ThZr2H7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Th is bonded in an octahedral geometry to six equivalent H atoms. All Th–H bond lengths are 2.32 Å. Zr is bonded in a body-centered cubic geometry to eight H atoms. All Zr–H bond lengths are 2.03 Å. There are two inequivalent H sites. In the first H site, H is bonded in a trigonal planar geometry to one Th and two equivalent Zr atoms. In the second H site, H is bonded to four equivalent Zr atoms to form corner-sharing HZr4 tetrahedra.

Publication Date:
Other Number(s):
mp-30085
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; ThZr2H7; H-Th-Zr
OSTI Identifier:
1204514
DOI:
https://doi.org/10.17188/1204514

Citation Formats

The Materials Project. Materials Data on ThZr2H7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204514.
The Materials Project. Materials Data on ThZr2H7 by Materials Project. United States. doi:https://doi.org/10.17188/1204514
The Materials Project. 2020. "Materials Data on ThZr2H7 by Materials Project". United States. doi:https://doi.org/10.17188/1204514. https://www.osti.gov/servlets/purl/1204514. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1204514,
title = {Materials Data on ThZr2H7 by Materials Project},
author = {The Materials Project},
abstractNote = {ThZr2H7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Th is bonded in an octahedral geometry to six equivalent H atoms. All Th–H bond lengths are 2.32 Å. Zr is bonded in a body-centered cubic geometry to eight H atoms. All Zr–H bond lengths are 2.03 Å. There are two inequivalent H sites. In the first H site, H is bonded in a trigonal planar geometry to one Th and two equivalent Zr atoms. In the second H site, H is bonded to four equivalent Zr atoms to form corner-sharing HZr4 tetrahedra.},
doi = {10.17188/1204514},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}