U.S. Department of EnergyOffice of Scientific and Technical Information
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 »
- Authors:
- Publication Date:
- 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)
- Contributing Org.:
- MIT; UC Berkeley; Duke; U Louvain
- OSTI Identifier:
- 1197241
- Report Number(s):
- mp-21902
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Resource Type:
- Data
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; Th2FeB10; B-Fe-Th
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. https://doi.org/10.17188/1197241
The Materials Project. 2020.
"Materials Data on Th2FeB10 by Materials Project". United States. https://doi.org/10.17188/1197241. https://www.osti.gov/servlets/purl/1197241.
@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},
url = {https://www.osti.gov/biblio/1197241},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jul 18 00:00:00 EDT 2020},
month = {Sat Jul 18 00:00:00 EDT 2020}
}