Materials Data on MoF5 by Materials Project
MoF5 crystallizes in the orthorhombic Immm space group. The structure is two-dimensional and consists of two MoF5 sheets oriented in the (0, 0, 1) direction. Mo5+ is bonded to eight F1- atoms to form a mixture of corner and edge-sharing MoF8 hexagonal bipyramids. There are a spread of Mo–F bond distances ranging from 1.89–2.21 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two equivalent Mo5+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Mo5+ atom. In the third F1- site, F1- is bonded in a distorted linear geometry to two equivalent Mo5+ 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:
- 1319579
- Report Number(s):
- mvc-15892
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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