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Title: Materials Data on TaMnSi by Materials Project

Abstract

TaMnSi crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. there are three inequivalent Ta sites. In the first Ta site, Ta is bonded in a 4-coordinate geometry to six Mn and five Si atoms. There are a spread of Ta–Mn bond distances ranging from 2.72–2.81 Å. There are a spread of Ta–Si bond distances ranging from 2.60–2.78 Å. In the second Ta site, Ta is bonded in a 5-coordinate geometry to five Si atoms. There are three shorter (2.60 Å) and two longer (2.61 Å) Ta–Si bond lengths. In the third 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 2.59–2.63 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 4-coordinate geometry to two equivalent Ta and four Si atoms. There are a spread of Mn–Si bond distances ranging from 2.36–2.45 Å. In the second Mn site, Mn is bonded in a 4-coordinate geometry to two equivalent Ta and four Si atoms. There are two shorter (2.40 Å) and two longer (2.47 Å) Mn–Si bond lengths. There are two inequivalent Si sites. In the firstmore » Si site, Si is bonded in a 9-coordinate geometry to six Ta and three Mn atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to three Ta and six Mn atoms.« less

Publication Date:
Other Number(s):
mp-1105570
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; TaMnSi; Mn-Si-Ta
OSTI Identifier:
1747252
DOI:
https://doi.org/10.17188/1747252

Citation Formats

The Materials Project. Materials Data on TaMnSi by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1747252.
The Materials Project. Materials Data on TaMnSi by Materials Project. United States. doi:https://doi.org/10.17188/1747252
The Materials Project. 2020. "Materials Data on TaMnSi by Materials Project". United States. doi:https://doi.org/10.17188/1747252. https://www.osti.gov/servlets/purl/1747252. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1747252,
title = {Materials Data on TaMnSi by Materials Project},
author = {The Materials Project},
abstractNote = {TaMnSi crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. there are three inequivalent Ta sites. In the first Ta site, Ta is bonded in a 4-coordinate geometry to six Mn and five Si atoms. There are a spread of Ta–Mn bond distances ranging from 2.72–2.81 Å. There are a spread of Ta–Si bond distances ranging from 2.60–2.78 Å. In the second Ta site, Ta is bonded in a 5-coordinate geometry to five Si atoms. There are three shorter (2.60 Å) and two longer (2.61 Å) Ta–Si bond lengths. In the third 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 2.59–2.63 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 4-coordinate geometry to two equivalent Ta and four Si atoms. There are a spread of Mn–Si bond distances ranging from 2.36–2.45 Å. In the second Mn site, Mn is bonded in a 4-coordinate geometry to two equivalent Ta and four Si atoms. There are two shorter (2.40 Å) and two longer (2.47 Å) Mn–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six Ta and three Mn atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to three Ta and six Mn atoms.},
doi = {10.17188/1747252},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}