Materials Data on ThB4Mo by Materials Project
ThMoB4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Th4+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Th–B bond distances ranging from 2.78–2.88 Å. Mo2+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Mo–B bond distances ranging from 2.41–2.45 Å. There are three inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 3-coordinate geometry to two equivalent Th4+, four equivalent Mo2+, and three B+1.50- atoms. There is one shorter (1.74 Å) and two longer (1.78 Å) B–B bond length. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Th4+, two equivalent Mo2+, and three B+1.50- atoms. There is two shorter (1.88 Å) and one longer (1.94 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 3-coordinate geometry to four equivalent Th4+, two equivalent Mo2+, and three B+1.50- atoms. The B–B bond length is 1.86 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:
- 1268942
- Report Number(s):
- mp-5557
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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