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Title: Materials Data on Ti3Os by Materials Project

Abstract

Ti3Os is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded to four equivalent Ti and four equivalent Os atoms to form a mixture of distorted corner, edge, and face-sharing TiTi4Os4 tetrahedra. All Ti–Ti bond lengths are 2.73 Å. All Ti–Os bond lengths are 2.73 Å. In the second Ti site, Ti is bonded in a 8-coordinate geometry to eight equivalent Ti and six equivalent Os atoms. All Ti–Os bond lengths are 3.16 Å. Os is bonded in a distorted body-centered cubic geometry to fourteen Ti atoms.

Authors:
Publication Date:
Other Number(s):
mp-865899
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; Ti3Os; Os-Ti
OSTI Identifier:
1311077
DOI:
https://doi.org/10.17188/1311077

Citation Formats

The Materials Project. Materials Data on Ti3Os by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1311077.
The Materials Project. Materials Data on Ti3Os by Materials Project. United States. doi:https://doi.org/10.17188/1311077
The Materials Project. 2020. "Materials Data on Ti3Os by Materials Project". United States. doi:https://doi.org/10.17188/1311077. https://www.osti.gov/servlets/purl/1311077. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1311077,
title = {Materials Data on Ti3Os by Materials Project},
author = {The Materials Project},
abstractNote = {Ti3Os is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded to four equivalent Ti and four equivalent Os atoms to form a mixture of distorted corner, edge, and face-sharing TiTi4Os4 tetrahedra. All Ti–Ti bond lengths are 2.73 Å. All Ti–Os bond lengths are 2.73 Å. In the second Ti site, Ti is bonded in a 8-coordinate geometry to eight equivalent Ti and six equivalent Os atoms. All Ti–Os bond lengths are 3.16 Å. Os is bonded in a distorted body-centered cubic geometry to fourteen Ti atoms.},
doi = {10.17188/1311077},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}