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Title: Materials Data on V5CoO23 by Materials Project

Abstract

(V5O14)2(CoO6)2(O2)3 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two cobalt;hexahydrate molecules, two trioxidane molecules, and one V5O14 cluster. In the V5O14 cluster, there are five inequivalent V sites. In the first V site, V is bonded in a 5-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.61–2.52 Å. In the second V site, V is bonded in a 5-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.61–2.52 Å. In the third V site, V is bonded in a 6-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.68–2.27 Å. In the fourth V site, V is bonded in a 6-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.72–2.09 Å. In the fifth V site, V is bonded in a 5-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.63–2.49 Å. There are fourteen inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to three V atoms. In themore » second O site, O is bonded in a single-bond geometry to one V atom. In the third O site, O is bonded in a bent 120 degrees geometry to two V atoms. In the fourth O site, O is bonded in a trigonal non-coplanar geometry to three V atoms. In the fifth O site, O is bonded in a single-bond geometry to one V atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to two V atoms. In the seventh O site, O is bonded in a bent 120 degrees geometry to two V atoms. In the eighth O site, O is bonded in a single-bond geometry to one V atom. In the ninth O site, O is bonded in a bent 120 degrees geometry to two V atoms. In the tenth O site, O is bonded in a bent 120 degrees geometry to two V atoms. In the eleventh O site, O is bonded in a single-bond geometry to one V atom. In the twelfth O site, O is bonded in a bent 120 degrees geometry to two V atoms. In the thirteenth O site, O is bonded in a 6-coordinate geometry to six V atoms. In the fourteenth O site, O is bonded in a bent 120 degrees geometry to two V atoms.« less

Publication Date:
Other Number(s):
mp-1198109
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; V5CoO23; Co-O-V
OSTI Identifier:
1667188
DOI:
https://doi.org/10.17188/1667188

Citation Formats

The Materials Project. Materials Data on V5CoO23 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1667188.
The Materials Project. Materials Data on V5CoO23 by Materials Project. United States. doi:https://doi.org/10.17188/1667188
The Materials Project. 2020. "Materials Data on V5CoO23 by Materials Project". United States. doi:https://doi.org/10.17188/1667188. https://www.osti.gov/servlets/purl/1667188. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1667188,
title = {Materials Data on V5CoO23 by Materials Project},
author = {The Materials Project},
abstractNote = {(V5O14)2(CoO6)2(O2)3 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two cobalt;hexahydrate molecules, two trioxidane molecules, and one V5O14 cluster. In the V5O14 cluster, there are five inequivalent V sites. In the first V site, V is bonded in a 5-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.61–2.52 Å. In the second V site, V is bonded in a 5-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.61–2.52 Å. In the third V site, V is bonded in a 6-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.68–2.27 Å. In the fourth V site, V is bonded in a 6-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.72–2.09 Å. In the fifth V site, V is bonded in a 5-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.63–2.49 Å. There are fourteen inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to three V atoms. In the second O site, O is bonded in a single-bond geometry to one V atom. In the third O site, O is bonded in a bent 120 degrees geometry to two V atoms. In the fourth O site, O is bonded in a trigonal non-coplanar geometry to three V atoms. In the fifth O site, O is bonded in a single-bond geometry to one V atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to two V atoms. In the seventh O site, O is bonded in a bent 120 degrees geometry to two V atoms. In the eighth O site, O is bonded in a single-bond geometry to one V atom. In the ninth O site, O is bonded in a bent 120 degrees geometry to two V atoms. In the tenth O site, O is bonded in a bent 120 degrees geometry to two V atoms. In the eleventh O site, O is bonded in a single-bond geometry to one V atom. In the twelfth O site, O is bonded in a bent 120 degrees geometry to two V atoms. In the thirteenth O site, O is bonded in a 6-coordinate geometry to six V atoms. In the fourteenth O site, O is bonded in a bent 120 degrees geometry to two V atoms.},
doi = {10.17188/1667188},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}