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Title: Materials Data on TiH by Materials Project

Abstract

TiH is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded to six equivalent H atoms to form a mixture of edge, face, and corner-sharing TiH6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Ti–H bond lengths are 2.12 Å. H is bonded to six equivalent Ti atoms to form a mixture of distorted edge and corner-sharing HTi6 pentagonal pyramids.

Authors:
Publication Date:
Other Number(s):
mp-998969
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; TiH; H-Ti
OSTI Identifier:
1317438
DOI:
https://doi.org/10.17188/1317438

Citation Formats

The Materials Project. Materials Data on TiH by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317438.
The Materials Project. Materials Data on TiH by Materials Project. United States. doi:https://doi.org/10.17188/1317438
The Materials Project. 2020. "Materials Data on TiH by Materials Project". United States. doi:https://doi.org/10.17188/1317438. https://www.osti.gov/servlets/purl/1317438. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1317438,
title = {Materials Data on TiH by Materials Project},
author = {The Materials Project},
abstractNote = {TiH is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded to six equivalent H atoms to form a mixture of edge, face, and corner-sharing TiH6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Ti–H bond lengths are 2.12 Å. H is bonded to six equivalent Ti atoms to form a mixture of distorted edge and corner-sharing HTi6 pentagonal pyramids.},
doi = {10.17188/1317438},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}