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Title: Materials Data on TiH2 by Materials Project

Abstract

TiH2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Ti2+ is bonded to six equivalent H1- atoms to form a mixture of corner and edge-sharing TiH6 octahedra. The corner-sharing octahedral tilt angles are 58°. There is two shorter (1.82 Å) and four longer (1.84 Å) Ti–H bond length. H1- is bonded in a trigonal planar geometry to three equivalent Ti2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1077353
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; TiH2; H-Ti
OSTI Identifier:
1691242
DOI:
https://doi.org/10.17188/1691242

Citation Formats

The Materials Project. Materials Data on TiH2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1691242.
The Materials Project. Materials Data on TiH2 by Materials Project. United States. doi:https://doi.org/10.17188/1691242
The Materials Project. 2020. "Materials Data on TiH2 by Materials Project". United States. doi:https://doi.org/10.17188/1691242. https://www.osti.gov/servlets/purl/1691242. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1691242,
title = {Materials Data on TiH2 by Materials Project},
author = {The Materials Project},
abstractNote = {TiH2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Ti2+ is bonded to six equivalent H1- atoms to form a mixture of corner and edge-sharing TiH6 octahedra. The corner-sharing octahedral tilt angles are 58°. There is two shorter (1.82 Å) and four longer (1.84 Å) Ti–H bond length. H1- is bonded in a trigonal planar geometry to three equivalent Ti2+ atoms.},
doi = {10.17188/1691242},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}