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Title: Materials Data on V3O5 by Materials Project

Abstract

V3O5 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one V3O5 sheet oriented in the (1, -1, 1) direction. there are six inequivalent V+3.33+ sites. In the first V+3.33+ site, V+3.33+ is bonded in a 4-coordinate geometry to three O2- atoms. There are a spread of V–O bond distances ranging from 1.34–2.21 Å. In the second V+3.33+ site, V+3.33+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of V–O bond distances ranging from 1.69–2.33 Å. In the third V+3.33+ site, V+3.33+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of V–O bond distances ranging from 1.54–2.21 Å. In the fourth V+3.33+ site, V+3.33+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.22–2.12 Å. In the fifth V+3.33+ site, V+3.33+ is bonded in a distorted linear geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.74–2.59 Å. In the sixth V+3.33+ site, V+3.33+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of V–O bond distances ranging frommore » 1.30–2.12 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two V+3.33+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two V+3.33+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three V+3.33+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two V+3.33+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one V+3.33+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two V+3.33+ atoms. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one V+3.33+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to two V+3.33+ atoms. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to three V+3.33+ atoms. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to three V+3.33+ atoms.« less

Publication Date:
Other Number(s):
mp-714911
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; V3O5; O-V
OSTI Identifier:
1286647
DOI:
10.17188/1286647

Citation Formats

The Materials Project. Materials Data on V3O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1286647.
The Materials Project. Materials Data on V3O5 by Materials Project. United States. doi:10.17188/1286647.
The Materials Project. 2020. "Materials Data on V3O5 by Materials Project". United States. doi:10.17188/1286647. https://www.osti.gov/servlets/purl/1286647. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1286647,
title = {Materials Data on V3O5 by Materials Project},
author = {The Materials Project},
abstractNote = {V3O5 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one V3O5 sheet oriented in the (1, -1, 1) direction. there are six inequivalent V+3.33+ sites. In the first V+3.33+ site, V+3.33+ is bonded in a 4-coordinate geometry to three O2- atoms. There are a spread of V–O bond distances ranging from 1.34–2.21 Å. In the second V+3.33+ site, V+3.33+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of V–O bond distances ranging from 1.69–2.33 Å. In the third V+3.33+ site, V+3.33+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of V–O bond distances ranging from 1.54–2.21 Å. In the fourth V+3.33+ site, V+3.33+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.22–2.12 Å. In the fifth V+3.33+ site, V+3.33+ is bonded in a distorted linear geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.74–2.59 Å. In the sixth V+3.33+ site, V+3.33+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.30–2.12 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two V+3.33+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two V+3.33+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three V+3.33+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two V+3.33+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one V+3.33+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two V+3.33+ atoms. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one V+3.33+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to two V+3.33+ atoms. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to three V+3.33+ atoms. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to three V+3.33+ atoms.},
doi = {10.17188/1286647},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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