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Title: Materials Data on VH24C4N4Cl7 by Materials Project

Abstract

(VCl6)2(CH3NH3)8Cl2 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic P2/c space group. The structure is zero-dimensional and consists of four hydrochloric acid molecules, sixteen methylammonium molecules, and four VCl6 clusters. In each VCl6 cluster, V3+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of V–Cl bond distances ranging from 2.40–2.43 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one V3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one V3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one V3+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-736386
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; VH24C4N4Cl7; C-Cl-H-N-V
OSTI Identifier:
1268391
DOI:
10.17188/1268391

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on VH24C4N4Cl7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268391.
Persson, Kristin, & Project, Materials. Materials Data on VH24C4N4Cl7 by Materials Project. United States. doi:10.17188/1268391.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on VH24C4N4Cl7 by Materials Project". United States. doi:10.17188/1268391. https://www.osti.gov/servlets/purl/1268391. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1268391,
title = {Materials Data on VH24C4N4Cl7 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {(VCl6)2(CH3NH3)8Cl2 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic P2/c space group. The structure is zero-dimensional and consists of four hydrochloric acid molecules, sixteen methylammonium molecules, and four VCl6 clusters. In each VCl6 cluster, V3+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of V–Cl bond distances ranging from 2.40–2.43 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one V3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one V3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one V3+ atom.},
doi = {10.17188/1268391},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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