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Title: Materials Data on Th2FeB10 by Materials Project

Abstract

Th2FeB10 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Th is bonded in a 4-coordinate geometry to two equivalent Fe and twenty B atoms. Both Th–Fe bond lengths are 3.04 Å. There are a spread of Th–B bond distances ranging from 2.87–3.07 Å. Fe is bonded in a 12-coordinate geometry to four equivalent Th and eight B atoms. There are a spread of Fe–B bond distances ranging from 2.12–2.15 Å. There are four inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to four equivalent Th, one Fe, and four B atoms. There are a spread of B–B bond distances ranging from 1.69–1.78 Å. In the second B site, B is bonded in a 1-coordinate geometry to four equivalent Th and five B atoms. There are a spread of B–B bond distances ranging from 1.67–1.77 Å. In the third B site, B is bonded in a 9-coordinate geometry to four equivalent Th, one Fe, and four B atoms. There is one shorter (1.68 Å) and one longer (1.77 Å) B–B bond length. In the fourth B site, B is bonded in a 7-coordinate geometry to four equivalent Th, one Fe, andmore » four B atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-21902
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Th2FeB10; B-Fe-Th
OSTI Identifier:
1197241
DOI:
https://doi.org/10.17188/1197241

Citation Formats

The Materials Project. Materials Data on Th2FeB10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197241.
The Materials Project. Materials Data on Th2FeB10 by Materials Project. United States. doi:https://doi.org/10.17188/1197241
The Materials Project. 2020. "Materials Data on Th2FeB10 by Materials Project". United States. doi:https://doi.org/10.17188/1197241. https://www.osti.gov/servlets/purl/1197241. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1197241,
title = {Materials Data on Th2FeB10 by Materials Project},
author = {The Materials Project},
abstractNote = {Th2FeB10 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Th is bonded in a 4-coordinate geometry to two equivalent Fe and twenty B atoms. Both Th–Fe bond lengths are 3.04 Å. There are a spread of Th–B bond distances ranging from 2.87–3.07 Å. Fe is bonded in a 12-coordinate geometry to four equivalent Th and eight B atoms. There are a spread of Fe–B bond distances ranging from 2.12–2.15 Å. There are four inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to four equivalent Th, one Fe, and four B atoms. There are a spread of B–B bond distances ranging from 1.69–1.78 Å. In the second B site, B is bonded in a 1-coordinate geometry to four equivalent Th and five B atoms. There are a spread of B–B bond distances ranging from 1.67–1.77 Å. In the third B site, B is bonded in a 9-coordinate geometry to four equivalent Th, one Fe, and four B atoms. There is one shorter (1.68 Å) and one longer (1.77 Å) B–B bond length. In the fourth B site, B is bonded in a 7-coordinate geometry to four equivalent Th, one Fe, and four B atoms.},
doi = {10.17188/1197241},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}