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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; 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; Ti4H5; H-Ti
OSTI Identifier:
1652155
DOI:
https://doi.org/10.17188/1652155

Citation Formats

The Materials Project. Materials Data on Ti4H5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1652155.
The Materials Project. Materials Data on Ti4H5 by Materials Project. United States. doi:https://doi.org/10.17188/1652155
The Materials Project. 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:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1652155,
title = {Materials Data on Ti4H5 by Materials Project},
author = {The 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}
}