Materials Data on V2O2F3 by Materials Project
V2O2F3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. V+3.50+ is bonded to three equivalent O2- and three F1- atoms to form a mixture of corner and edge-sharing VO3F3 octahedra. The corner-sharing octahedra tilt angles range from 22–36°. There is two shorter (1.90 Å) and one longer (2.07 Å) V–O bond length. There are a spread of V–F bond distances ranging from 1.93–2.05 Å. O2- is bonded in a distorted T-shaped geometry to three equivalent V+3.50+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent V+3.50+ atoms. In the second F1- site, F1- is bonded in a water-like geometry to two equivalent V+3.50+ 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:
- 1294798
- Report Number(s):
- mp-764353
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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