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Title: Materials Data on TaFeSi by Materials Project

Abstract

TaFeSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ta is bonded in a 11-coordinate geometry to six equivalent Fe and five equivalent Si atoms. There are a spread of Ta–Fe bond distances ranging from 2.74–2.92 Å. There are four shorter (2.65 Å) and one longer (2.66 Å) Ta–Si bond lengths. Fe is bonded in a 12-coordinate geometry to six equivalent Ta and four equivalent Si atoms. There are a spread of Fe–Si bond distances ranging from 2.30–2.37 Å. Si is bonded in a 9-coordinate geometry to five equivalent Ta and four equivalent Fe atoms.

Publication Date:
Other Number(s):
mp-1101943
DOE Contract Number:  
AC02-05CH11231
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; Fe-Si-Ta; TaFeSi; crystal structure
OSTI Identifier:
1677081
DOI:
https://doi.org/10.17188/1677081

Citation Formats

Materials Data on TaFeSi by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1677081.
Materials Data on TaFeSi by Materials Project. United States. doi:https://doi.org/10.17188/1677081
2018. "Materials Data on TaFeSi by Materials Project". United States. doi:https://doi.org/10.17188/1677081. https://www.osti.gov/servlets/purl/1677081. Pub date:Wed Jul 18 04:00:00 UTC 2018
@article{osti_1677081,
title = {Materials Data on TaFeSi by Materials Project},
abstractNote = {TaFeSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ta is bonded in a 11-coordinate geometry to six equivalent Fe and five equivalent Si atoms. There are a spread of Ta–Fe bond distances ranging from 2.74–2.92 Å. There are four shorter (2.65 Å) and one longer (2.66 Å) Ta–Si bond lengths. Fe is bonded in a 12-coordinate geometry to six equivalent Ta and four equivalent Si atoms. There are a spread of Fe–Si bond distances ranging from 2.30–2.37 Å. Si is bonded in a 9-coordinate geometry to five equivalent Ta and four equivalent Fe atoms.},
doi = {10.17188/1677081},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}