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Title: Materials Data on Ta5Si3 by Materials Project

Abstract

Ta5Si3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Ta–Si bond distances ranging from 2.65–2.94 Å. In the second Ta site, Ta is bonded in a 6-coordinate geometry to two equivalent Ta and four equivalent Si atoms. Both Ta–Ta bond lengths are 2.55 Å. All Ta–Si bond lengths are 2.67 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 10-coordinate geometry to ten Ta atoms. In the second Si site, Si is bonded in a 10-coordinate geometry to eight equivalent Ta and two equivalent Si atoms. Both Si–Si bond lengths are 2.55 Å.

Publication Date:
Other Number(s):
mp-570287
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; Ta5Si3; Si-Ta
OSTI Identifier:
1275621
DOI:
https://doi.org/10.17188/1275621

Citation Formats

The Materials Project. Materials Data on Ta5Si3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275621.
The Materials Project. Materials Data on Ta5Si3 by Materials Project. United States. doi:https://doi.org/10.17188/1275621
The Materials Project. 2020. "Materials Data on Ta5Si3 by Materials Project". United States. doi:https://doi.org/10.17188/1275621. https://www.osti.gov/servlets/purl/1275621. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1275621,
title = {Materials Data on Ta5Si3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ta5Si3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Ta–Si bond distances ranging from 2.65–2.94 Å. In the second Ta site, Ta is bonded in a 6-coordinate geometry to two equivalent Ta and four equivalent Si atoms. Both Ta–Ta bond lengths are 2.55 Å. All Ta–Si bond lengths are 2.67 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 10-coordinate geometry to ten Ta atoms. In the second Si site, Si is bonded in a 10-coordinate geometry to eight equivalent Ta and two equivalent Si atoms. Both Si–Si bond lengths are 2.55 Å.},
doi = {10.17188/1275621},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}