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Title: Materials Data on TbCo9Si4 by Materials Project

Abstract

TbCo9Si4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Tb3+ is bonded in a 8-coordinate geometry to eight equivalent Si4- atoms. All Tb–Si bond lengths are 3.22 Å. There are three inequivalent Co+1.44+ sites. In the first Co+1.44+ site, Co+1.44+ is bonded in a 6-coordinate geometry to two equivalent Co+1.44+ and four equivalent Si4- atoms. Both Co–Co bond lengths are 2.30 Å. There are two shorter (2.45 Å) and two longer (2.52 Å) Co–Si bond lengths. In the second Co+1.44+ site, Co+1.44+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing CoSi4 tetrahedra. There are a spread of Co–Si bond distances ranging from 2.28–2.42 Å. In the third Co+1.44+ site, Co+1.44+ is bonded in a distorted square co-planar geometry to four equivalent Si4- atoms. All Co–Si bond lengths are 2.30 Å. Si4- is bonded in a 12-coordinate geometry to two equivalent Tb3+, nine Co+1.44+, and one Si4- atom. The Si–Si bond length is 2.78 Å.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-4735
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; TbCo9Si4; Co-Si-Tb
OSTI Identifier:
1208366
DOI:
10.17188/1208366

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on TbCo9Si4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1208366.
Persson, Kristin, & Project, Materials. Materials Data on TbCo9Si4 by Materials Project. United States. doi:10.17188/1208366.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on TbCo9Si4 by Materials Project". United States. doi:10.17188/1208366. https://www.osti.gov/servlets/purl/1208366. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1208366,
title = {Materials Data on TbCo9Si4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {TbCo9Si4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Tb3+ is bonded in a 8-coordinate geometry to eight equivalent Si4- atoms. All Tb–Si bond lengths are 3.22 Å. There are three inequivalent Co+1.44+ sites. In the first Co+1.44+ site, Co+1.44+ is bonded in a 6-coordinate geometry to two equivalent Co+1.44+ and four equivalent Si4- atoms. Both Co–Co bond lengths are 2.30 Å. There are two shorter (2.45 Å) and two longer (2.52 Å) Co–Si bond lengths. In the second Co+1.44+ site, Co+1.44+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing CoSi4 tetrahedra. There are a spread of Co–Si bond distances ranging from 2.28–2.42 Å. In the third Co+1.44+ site, Co+1.44+ is bonded in a distorted square co-planar geometry to four equivalent Si4- atoms. All Co–Si bond lengths are 2.30 Å. Si4- is bonded in a 12-coordinate geometry to two equivalent Tb3+, nine Co+1.44+, and one Si4- atom. The Si–Si bond length is 2.78 Å.},
doi = {10.17188/1208366},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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