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Title: Materials Data on TiFeH by Materials Project

Abstract

FeTiH crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Ti is bonded in a 10-coordinate geometry to six equivalent Fe and four equivalent H atoms. There are two shorter (2.50 Å) and four longer (2.60 Å) Ti–Fe bond lengths. All Ti–H bond lengths are 2.14 Å. Fe is bonded in a 2-coordinate geometry to six equivalent Ti and two equivalent H atoms. Both Fe–H bond lengths are 1.75 Å. H is bonded to four equivalent Ti and two equivalent Fe atoms to form a mixture of edge, corner, and face-sharing HTi4Fe2 octahedra. The corner-sharing octahedral tilt angles are 65°.

Authors:
Publication Date:
Other Number(s):
mp-1077746
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; TiFeH; Fe-H-Ti
OSTI Identifier:
1652884
DOI:
https://doi.org/10.17188/1652884

Citation Formats

The Materials Project. Materials Data on TiFeH by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1652884.
The Materials Project. Materials Data on TiFeH by Materials Project. United States. doi:https://doi.org/10.17188/1652884
The Materials Project. 2020. "Materials Data on TiFeH by Materials Project". United States. doi:https://doi.org/10.17188/1652884. https://www.osti.gov/servlets/purl/1652884. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1652884,
title = {Materials Data on TiFeH by Materials Project},
author = {The Materials Project},
abstractNote = {FeTiH crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Ti is bonded in a 10-coordinate geometry to six equivalent Fe and four equivalent H atoms. There are two shorter (2.50 Å) and four longer (2.60 Å) Ti–Fe bond lengths. All Ti–H bond lengths are 2.14 Å. Fe is bonded in a 2-coordinate geometry to six equivalent Ti and two equivalent H atoms. Both Fe–H bond lengths are 1.75 Å. H is bonded to four equivalent Ti and two equivalent Fe atoms to form a mixture of edge, corner, and face-sharing HTi4Fe2 octahedra. The corner-sharing octahedral tilt angles are 65°.},
doi = {10.17188/1652884},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}