Materials Data on Th2FeB10 by Materials Project
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.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1197241
- Report Number(s):
- mp-21902
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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