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Title: Materials Data on Tb2Fe2Si2C by Materials Project

Abstract

Tb2Fe2Si2C crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Tb3+ is bonded in a 2-coordinate geometry to five equivalent Si4- and two equivalent C4- atoms. There are a spread of Tb–Si bond distances ranging from 3.00–3.05 Å. Both Tb–C bond lengths are 2.58 Å. Fe3+ is bonded in a distorted single-bond geometry to three equivalent Si4- and one C4- atom. There are two shorter (2.29 Å) and one longer (2.31 Å) Fe–Si bond lengths. The Fe–C bond length is 1.79 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Tb3+, three equivalent Fe3+, and one Si4- atom. The Si–Si bond length is 2.75 Å. C4- is bonded to four equivalent Tb3+ and two equivalent Fe3+ atoms to form distorted edge-sharing CTb4Fe2 octahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-6624
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; Tb2Fe2Si2C; C-Fe-Si-Tb
OSTI Identifier:
1281398
DOI:
10.17188/1281398

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Tb2Fe2Si2C by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281398.
Persson, Kristin, & Project, Materials. Materials Data on Tb2Fe2Si2C by Materials Project. United States. doi:10.17188/1281398.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Tb2Fe2Si2C by Materials Project". United States. doi:10.17188/1281398. https://www.osti.gov/servlets/purl/1281398. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1281398,
title = {Materials Data on Tb2Fe2Si2C by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Tb2Fe2Si2C crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Tb3+ is bonded in a 2-coordinate geometry to five equivalent Si4- and two equivalent C4- atoms. There are a spread of Tb–Si bond distances ranging from 3.00–3.05 Å. Both Tb–C bond lengths are 2.58 Å. Fe3+ is bonded in a distorted single-bond geometry to three equivalent Si4- and one C4- atom. There are two shorter (2.29 Å) and one longer (2.31 Å) Fe–Si bond lengths. The Fe–C bond length is 1.79 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Tb3+, three equivalent Fe3+, and one Si4- atom. The Si–Si bond length is 2.75 Å. C4- is bonded to four equivalent Tb3+ and two equivalent Fe3+ atoms to form distorted edge-sharing CTb4Fe2 octahedra.},
doi = {10.17188/1281398},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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