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Title: Materials Data on V2Co(H4O5)2 by Materials Project

Abstract

H4CoO8V2(H2O)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of eight water molecules and one H4CoO8V2 framework. In the H4CoO8V2 framework, V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.68–2.06 Å. Co2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Co–O bond distances ranging from 2.03–2.17 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent V5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one Co2+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+ and one Co2+ atom. In the fourth O2- site, O2- ismore » bonded in a distorted trigonal non-coplanar geometry to one Co2+ and two H1+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-767696
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; V2Co(H4O5)2; Co-H-O-V
OSTI Identifier:
1297806
DOI:
https://doi.org/10.17188/1297806

Citation Formats

The Materials Project. Materials Data on V2Co(H4O5)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1297806.
The Materials Project. Materials Data on V2Co(H4O5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1297806
The Materials Project. 2020. "Materials Data on V2Co(H4O5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1297806. https://www.osti.gov/servlets/purl/1297806. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1297806,
title = {Materials Data on V2Co(H4O5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {H4CoO8V2(H2O)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of eight water molecules and one H4CoO8V2 framework. In the H4CoO8V2 framework, V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.68–2.06 Å. Co2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Co–O bond distances ranging from 2.03–2.17 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent V5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one Co2+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+ and one Co2+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Co2+ and two H1+ atoms.},
doi = {10.17188/1297806},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}