skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on V2O3F by Materials Project

Abstract

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. Theremore » 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.« less

Publication Date:
Other Number(s):
mp-763975
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; V2O3F; F-O-V
OSTI Identifier:
1294144
DOI:
10.17188/1294144

Citation Formats

The Materials Project. Materials Data on V2O3F by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1294144.
The Materials Project. Materials Data on V2O3F by Materials Project. United States. doi:10.17188/1294144.
The Materials Project. 2018. "Materials Data on V2O3F by Materials Project". United States. doi:10.17188/1294144. https://www.osti.gov/servlets/purl/1294144. Pub date:Tue Jul 17 00:00:00 EDT 2018
@article{osti_1294144,
title = {Materials Data on V2O3F by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1294144},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}

Dataset:

Save / Share: