U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on VO2F by Materials Project
Abstract
FVO2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent V5+ sites. In the first V5+ site, V5+ is bonded in a distorted octahedral geometry to four O2- and two F1- atoms. There are a spread of V–O bond distances ranging from 1.65–2.15 Å. There is one shorter (1.87 Å) and one longer (1.98 Å) V–F bond length. In the second V5+ site, V5+ is bonded in a 6-coordinate geometry to four O2- and two F1- atoms. There are a spread of V–O bond distances ranging from 1.64–2.29 Å. There is one shorter (1.94 Å) and one longer (1.96 Å) V–F bond length. In the third V5+ site, V5+ is bonded in a 6-coordinate geometry to four O2- and two F1- atoms. There are a spread of V–O bond distances ranging from 1.65–2.24 Å. There are one shorter (1.88 Å) and one longer (2.17 Å) V–F bond lengths. In the fourth V5+ site, V5+ is bonded in a 6-coordinate geometry to four O2- and two F1- atoms. There are a spread of V–O bond distances ranging from 1.64–2.34 Å. There is one shorter (1.96 Å) and one longer (1.97 Å) V–F bond length. Inmore »
- Authors:
- Publication Date:
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Org.:
- MIT; UC Berkeley; Duke; U Louvain
- OSTI Identifier:
- 1293084
- Report Number(s):
- mp-762980
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Resource Type:
- Data
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; VO2F; F-O-V
Citation Formats
The Materials Project. Materials Data on VO2F by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1293084.
The Materials Project. Materials Data on VO2F by Materials Project. United States. https://doi.org/10.17188/1293084
The Materials Project. 2020.
"Materials Data on VO2F by Materials Project". United States. https://doi.org/10.17188/1293084. https://www.osti.gov/servlets/purl/1293084.
@article{osti_1293084,
title = {Materials Data on VO2F by Materials Project},
author = {The Materials Project},
abstractNote = {FVO2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent V5+ sites. In the first V5+ site, V5+ is bonded in a distorted octahedral geometry to four O2- and two F1- atoms. There are a spread of V–O bond distances ranging from 1.65–2.15 Å. There is one shorter (1.87 Å) and one longer (1.98 Å) V–F bond length. In the second V5+ site, V5+ is bonded in a 6-coordinate geometry to four O2- and two F1- atoms. There are a spread of V–O bond distances ranging from 1.64–2.29 Å. There is one shorter (1.94 Å) and one longer (1.96 Å) V–F bond length. In the third V5+ site, V5+ is bonded in a 6-coordinate geometry to four O2- and two F1- atoms. There are a spread of V–O bond distances ranging from 1.65–2.24 Å. There are one shorter (1.88 Å) and one longer (2.17 Å) V–F bond lengths. In the fourth V5+ site, V5+ is bonded in a 6-coordinate geometry to four O2- and two F1- atoms. There are a spread of V–O bond distances ranging from 1.64–2.34 Å. There is one shorter (1.96 Å) and one longer (1.97 Å) V–F bond length. In the fifth V5+ site, V5+ is bonded in a 6-coordinate geometry to four O2- and two F1- atoms. There are a spread of V–O bond distances ranging from 1.67–2.28 Å. Both V–F bond lengths are 1.96 Å. In the sixth V5+ site, V5+ is bonded in a 6-coordinate geometry to four O2- and two F1- atoms. There are a spread of V–O bond distances ranging from 1.64–2.16 Å. There are one shorter (1.99 Å) and one longer (2.23 Å) V–F bond lengths. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two V5+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to two V5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two V5+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two V5+ atoms. In the fifth O2- site, O2- is bonded in a linear geometry to two V5+ atoms. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two V5+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two V5+ atoms. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to two V5+ atoms. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to two V5+ atoms. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to two V5+ atoms. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to two V5+ atoms. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to two V5+ atoms. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two V5+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two V5+ atoms. In the third F1- site, F1- is bonded in a 2-coordinate geometry to two V5+ atoms. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to two V5+ atoms. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two V5+ atoms. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two V5+ atoms.},
doi = {10.17188/1293084},
url = {https://www.osti.gov/biblio/1293084},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}
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