Title: Materials Data on Ti4H5 by Materials Project

Abstract

Ti4H5 is Matlockite-derived structured and crystallizes in the tetragonal P-42m space group. The structure is three-dimensional. Ti is bonded in a 5-coordinate geometry to five H atoms. There are a spread of Ti–H bond distances ranging from 1.87–1.93 Å. There are three inequivalent H sites. In the first H site, H is bonded to four equivalent Ti atoms to form a mixture of corner and edge-sharing HTi4 tetrahedra. In the second H site, H is bonded to four equivalent Ti atoms to form a mixture of corner and edge-sharing HTi4 tetrahedra. In the third H site, H is bonded to four equivalent Ti atoms to form a mixture of corner and edge-sharing HTi4 tetrahedra.

Publication Date:
Other Number(s):
mp-1095024
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; crystal structure; H-Ti; Ti4H5
OSTI Identifier:
1652155
DOI:
https://doi.org/10.17188/1652155

Citation Formats

Materials Data on Ti4H5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1652155.
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Materials Data on Ti4H5 by Materials Project. United States. doi:https://doi.org/10.17188/1652155
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2020. "Materials Data on Ti4H5 by Materials Project". United States. doi:https://doi.org/10.17188/1652155. https://www.osti.gov/servlets/purl/1652155. Pub date:Sun Jul 19 20:00:00 EDT 2020
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@article{osti_1652155,
title = {Materials Data on Ti4H5 by Materials Project},
abstractNote = {Ti4H5 is Matlockite-derived structured and crystallizes in the tetragonal P-42m space group. The structure is three-dimensional. Ti is bonded in a 5-coordinate geometry to five H atoms. There are a spread of Ti–H bond distances ranging from 1.87–1.93 Å. There are three inequivalent H sites. In the first H site, H is bonded to four equivalent Ti atoms to form a mixture of corner and edge-sharing HTi4 tetrahedra. In the second H site, H is bonded to four equivalent Ti atoms to form a mixture of corner and edge-sharing HTi4 tetrahedra. In the third H site, H is bonded to four equivalent Ti atoms to form a mixture of corner and edge-sharing HTi4 tetrahedra.},
doi = {10.17188/1652155},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1652155
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