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:
- Publication Date:
- Other Number(s):
- mp-736386
- 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; VH24C4N4Cl7; C-Cl-H-N-V
- OSTI Identifier:
- 1268391
- DOI:
- https://doi.org/10.17188/1268391
Citation Formats
The Materials Project. Materials Data on VH24C4N4Cl7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1268391.
The Materials Project. Materials Data on VH24C4N4Cl7 by Materials Project. United States. doi:https://doi.org/10.17188/1268391
The Materials Project. 2020.
"Materials Data on VH24C4N4Cl7 by Materials Project". United States. doi:https://doi.org/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 = {The Materials Project},
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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