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Title: Materials Data on Ti2Si by Materials Project

Abstract

Si(Ti2) is half-Heusler-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Ti2+ sites. In the first Ti2+ site, Ti2+ is bonded to four equivalent Ti2+ and four equivalent Si4- atoms to form distorted edge-sharing TiTi4Si4 tetrahedra. All Ti–Ti bond lengths are 2.66 Å. All Ti–Si bond lengths are 2.66 Å. In the second Ti2+ site, Ti2+ is bonded in a distorted q6 geometry to four equivalent Ti2+ and six equivalent Si4- atoms. All Ti–Si bond lengths are 3.07 Å. Si4- is bonded in a 4-coordinate geometry to ten Ti2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1008689
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; Ti2Si; Si-Ti
OSTI Identifier:
1325104
DOI:
https://doi.org/10.17188/1325104

Citation Formats

The Materials Project. Materials Data on Ti2Si by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1325104.
The Materials Project. Materials Data on Ti2Si by Materials Project. United States. doi:https://doi.org/10.17188/1325104
The Materials Project. 2020. "Materials Data on Ti2Si by Materials Project". United States. doi:https://doi.org/10.17188/1325104. https://www.osti.gov/servlets/purl/1325104. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1325104,
title = {Materials Data on Ti2Si by Materials Project},
author = {The Materials Project},
abstractNote = {Si(Ti2) is half-Heusler-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Ti2+ sites. In the first Ti2+ site, Ti2+ is bonded to four equivalent Ti2+ and four equivalent Si4- atoms to form distorted edge-sharing TiTi4Si4 tetrahedra. All Ti–Ti bond lengths are 2.66 Å. All Ti–Si bond lengths are 2.66 Å. In the second Ti2+ site, Ti2+ is bonded in a distorted q6 geometry to four equivalent Ti2+ and six equivalent Si4- atoms. All Ti–Si bond lengths are 3.07 Å. Si4- is bonded in a 4-coordinate geometry to ten Ti2+ atoms.},
doi = {10.17188/1325104},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}