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Title: Materials Data on V2H2O5 by Materials Project

Abstract

V2H2O5 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V4+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of V–O bond distances ranging from 1.81–2.03 Å. H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.69 Å) H–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent V4+ atoms. In the second O2- site, O2- is bonded to three equivalent V4+ and one H1+ atom to form a mixture of distorted corner and edge-sharing OV3H tetrahedra. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent V4+ and one H1+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1079538
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; V2H2O5; H-O-V
OSTI Identifier:
1652969
DOI:
https://doi.org/10.17188/1652969

Citation Formats

The Materials Project. Materials Data on V2H2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1652969.
The Materials Project. Materials Data on V2H2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1652969
The Materials Project. 2020. "Materials Data on V2H2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1652969. https://www.osti.gov/servlets/purl/1652969. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1652969,
title = {Materials Data on V2H2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {V2H2O5 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V4+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of V–O bond distances ranging from 1.81–2.03 Å. H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.69 Å) H–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent V4+ atoms. In the second O2- site, O2- is bonded to three equivalent V4+ and one H1+ atom to form a mixture of distorted corner and edge-sharing OV3H tetrahedra. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent V4+ and one H1+ atom.},
doi = {10.17188/1652969},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}