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Title: Materials Data on Ti6Si2B by Materials Project

Abstract

Ti6Si2B crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 4-coordinate geometry to two equivalent B and two equivalent Si atoms. Both Ti–B bond lengths are 2.32 Å. Both Ti–Si bond lengths are 2.64 Å. In the second Ti site, Ti is bonded in a 5-coordinate geometry to one B and four equivalent Si atoms. The Ti–B bond length is 2.71 Å. All Ti–Si bond lengths are 2.66 Å. B is bonded in a 9-coordinate geometry to nine Ti atoms. Si is bonded in a 9-coordinate geometry to nine Ti atoms.

Publication Date:
Other Number(s):
mp-11750
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; Ti6Si2B; B-Si-Ti
OSTI Identifier:
1188346
DOI:
https://doi.org/10.17188/1188346

Citation Formats

The Materials Project. Materials Data on Ti6Si2B by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188346.
The Materials Project. Materials Data on Ti6Si2B by Materials Project. United States. doi:https://doi.org/10.17188/1188346
The Materials Project. 2020. "Materials Data on Ti6Si2B by Materials Project". United States. doi:https://doi.org/10.17188/1188346. https://www.osti.gov/servlets/purl/1188346. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1188346,
title = {Materials Data on Ti6Si2B by Materials Project},
author = {The Materials Project},
abstractNote = {Ti6Si2B crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 4-coordinate geometry to two equivalent B and two equivalent Si atoms. Both Ti–B bond lengths are 2.32 Å. Both Ti–Si bond lengths are 2.64 Å. In the second Ti site, Ti is bonded in a 5-coordinate geometry to one B and four equivalent Si atoms. The Ti–B bond length is 2.71 Å. All Ti–Si bond lengths are 2.66 Å. B is bonded in a 9-coordinate geometry to nine Ti atoms. Si is bonded in a 9-coordinate geometry to nine Ti atoms.},
doi = {10.17188/1188346},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}