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Title: Materials Data on V4AgO10 by Materials Project

Abstract

V4AgO10 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent V+4.75+ sites. In the first V+4.75+ site, V+4.75+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.62–2.51 Å. In the second V+4.75+ site, V+4.75+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.66–2.39 Å. In the third V+4.75+ site, V+4.75+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.67–1.99 Å. In the fourth V+4.75+ site, V+4.75+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.62–2.02 Å. Ag1+ is bonded in a 5-coordinate geometry to seven O2- atoms. There are a spread of Ag–O bond distances ranging from 2.43–3.05 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.75+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.75+ atoms. In the third O2- site, O2- ismore » bonded in a 3-coordinate geometry to three V+4.75+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three V+4.75+ atoms. In the fifth O2- site, O2- is bonded in a single-bond geometry to one V+4.75+ and two equivalent Ag1+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.75+ and two equivalent Ag1+ atoms. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.75+ and two equivalent Ag1+ atoms. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.75+ and one Ag1+ atom. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to three V+4.75+ atoms. In the tenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three V+4.75+ atoms.« less

Publication Date:
Other Number(s):
mp-1216506
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; V4AgO10; Ag-O-V
OSTI Identifier:
1656231
DOI:
https://doi.org/10.17188/1656231

Citation Formats

The Materials Project. Materials Data on V4AgO10 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1656231.
The Materials Project. Materials Data on V4AgO10 by Materials Project. United States. doi:https://doi.org/10.17188/1656231
The Materials Project. 2019. "Materials Data on V4AgO10 by Materials Project". United States. doi:https://doi.org/10.17188/1656231. https://www.osti.gov/servlets/purl/1656231. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1656231,
title = {Materials Data on V4AgO10 by Materials Project},
author = {The Materials Project},
abstractNote = {V4AgO10 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent V+4.75+ sites. In the first V+4.75+ site, V+4.75+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.62–2.51 Å. In the second V+4.75+ site, V+4.75+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.66–2.39 Å. In the third V+4.75+ site, V+4.75+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.67–1.99 Å. In the fourth V+4.75+ site, V+4.75+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.62–2.02 Å. Ag1+ is bonded in a 5-coordinate geometry to seven O2- atoms. There are a spread of Ag–O bond distances ranging from 2.43–3.05 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.75+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.75+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three V+4.75+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three V+4.75+ atoms. In the fifth O2- site, O2- is bonded in a single-bond geometry to one V+4.75+ and two equivalent Ag1+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.75+ and two equivalent Ag1+ atoms. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.75+ and two equivalent Ag1+ atoms. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.75+ and one Ag1+ atom. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to three V+4.75+ atoms. In the tenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three V+4.75+ atoms.},
doi = {10.17188/1656231},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}