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Title: Materials Data on VH24C4N4Cl7 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1268391· OSTI ID:1268391

(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.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1268391
Report Number(s):
mp-736386
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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