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Title: Materials Data on V(ClO2)3 by Materials Project

Abstract

(V(O3Cl)2)2Cl2 is Tungsten Carbide structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two hydrochloric acid molecules and two V(O3Cl)2 clusters. In each V(O3Cl)2 cluster, V is bonded in a distorted octahedral geometry to four O and two equivalent Cl atoms. There is two shorter (1.82 Å) and two longer (1.83 Å) V–O bond length. Both V–Cl bond lengths are 2.42 Å. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 2.35 Å. 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 single-bond geometry to one V atom. Cl is bonded in a distorted L-shaped geometry to one V and one O atom.

Authors:
Publication Date:
Other Number(s):
mp-1189088
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; V(ClO2)3; Cl-O-V
OSTI Identifier:
1695464
DOI:
https://doi.org/10.17188/1695464

Citation Formats

The Materials Project. Materials Data on V(ClO2)3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1695464.
The Materials Project. Materials Data on V(ClO2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1695464
The Materials Project. 2019. "Materials Data on V(ClO2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1695464. https://www.osti.gov/servlets/purl/1695464. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1695464,
title = {Materials Data on V(ClO2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {(V(O3Cl)2)2Cl2 is Tungsten Carbide structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two hydrochloric acid molecules and two V(O3Cl)2 clusters. In each V(O3Cl)2 cluster, V is bonded in a distorted octahedral geometry to four O and two equivalent Cl atoms. There is two shorter (1.82 Å) and two longer (1.83 Å) V–O bond length. Both V–Cl bond lengths are 2.42 Å. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 2.35 Å. 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 single-bond geometry to one V atom. Cl is bonded in a distorted L-shaped geometry to one V and one O atom.},
doi = {10.17188/1695464},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}