Materials Data on V2O3F by Materials Project
V2O3F crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one V2O3F sheet oriented in the (-1, 1, 2) direction. there are five inequivalent V+3.50+ sites. In the first V+3.50+ site, V+3.50+ is bonded in a 2-coordinate geometry to five O2- and one F1- atom. There are a spread of V–O bond distances ranging from 1.50–2.58 Å. The V–F bond length is 2.55 Å. In the second V+3.50+ site, V+3.50+ is bonded in a 2-coordinate geometry to four O2- and two equivalent F1- atoms. There is two shorter (1.58 Å) and two longer (2.35 Å) V–O bond length. Both V–F bond lengths are 2.17 Å. In the third V+3.50+ site, V+3.50+ is bonded in a distorted linear geometry to two F1- atoms. There is one shorter (1.64 Å) and one longer (1.65 Å) V–F bond length. In the fourth V+3.50+ site, V+3.50+ is bonded in a 2-coordinate geometry to two O2- atoms. There is one shorter (1.60 Å) and one longer (1.64 Å) V–O bond length. In the fifth V+3.50+ site, V+3.50+ is bonded in a 2-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.62–2.44 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two V+3.50+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent V+3.50+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two V+3.50+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two V+3.50+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two V+3.50+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent V+3.50+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to two V+3.50+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to two 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:
- 1294144
- Report Number(s):
- mp-763975
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Li3V2S2(O4F3)2 by Materials Project
Materials Data on Na5Ca7Zr2Ti2Si8(O5F)6 by Materials Project