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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 5-coordinate geometry to five Si atoms. There are a spread of Ta–Si bond distances ranging from 2.61–2.73 Å. In the second Ta site, Ta is bonded to six Si atoms to form distorted corner-sharing TaSi6 octahedra. The corner-sharing octahedra tilt angles range from 0–51°. There are four shorter (2.57 Å) and two longer (2.98 Å) Ta–Si bond lengths. 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 9-coordinate geometry to eight Ta and one Si atom. The Si–Si bond length is 2.41 Å.

Publication Date:
Other Number(s):
mp-1989
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:
1195078
DOI:
https://doi.org/10.17188/1195078

Citation Formats

The Materials Project. Materials Data on Ta5Si3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195078.
The Materials Project. Materials Data on Ta5Si3 by Materials Project. United States. doi:https://doi.org/10.17188/1195078
The Materials Project. 2020. "Materials Data on Ta5Si3 by Materials Project". United States. doi:https://doi.org/10.17188/1195078. https://www.osti.gov/servlets/purl/1195078. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1195078,
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 5-coordinate geometry to five Si atoms. There are a spread of Ta–Si bond distances ranging from 2.61–2.73 Å. In the second Ta site, Ta is bonded to six Si atoms to form distorted corner-sharing TaSi6 octahedra. The corner-sharing octahedra tilt angles range from 0–51°. There are four shorter (2.57 Å) and two longer (2.98 Å) Ta–Si bond lengths. 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 9-coordinate geometry to eight Ta and one Si atom. The Si–Si bond length is 2.41 Å.},
doi = {10.17188/1195078},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}