Materials Data on Th(CrB3)2 by Materials Project
ThCr2B6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Th4+ is bonded in a 12-coordinate geometry to sixteen B2- atoms. There are a spread of Th–B bond distances ranging from 2.83–2.98 Å. Cr4+ is bonded in a 10-coordinate geometry to ten B2- atoms. There are two shorter (2.13 Å) and eight longer (2.23 Å) Cr–B bond lengths. There are two inequivalent B2- sites. In the first B2- site, B2- is bonded in a 9-coordinate geometry to two equivalent Th4+, four equivalent Cr4+, and three B2- atoms. There is two shorter (1.76 Å) and one longer (1.85 Å) B–B bond length. In the second B2- site, B2- is bonded in a 6-coordinate geometry to three equivalent Th4+, three equivalent Cr4+, and three B2- atoms. Both B–B bond lengths are 1.81 Å.
- 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:
- 1313154
- Report Number(s):
- mp-9357
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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