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Issue 5, 2020
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Tilts and shifts in molecular perovskites

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Abstract

Molecular perovskites have attracted widespread research attention for their diverse properties. Like inorganic perovskites, these systems are susceptible to displacive phase transitions of rigid octahedra. This study investigates the prevalence of the accessible rigid unit modes—conventional and unconventional tilts and columnar shifts—in the classes of molecular perovskites. Formate-based compounds prefer conventional tilting, as a result of its antianti binding mode. Azides, hypophosphites, and dicyanamides show a propensity for unconventional tilts and shifts, which relates to their flexible binding geometries.

Graphical abstract: Tilts and shifts in molecular perovskites

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Article information


Submitted
10 Dec 2019
Accepted
03 Jan 2020
First published
03 Jan 2020

This article is Open Access

CrystEngComm, 2020,22, 961-968
Article type
Paper

Tilts and shifts in molecular perovskites

H. L. B. Boström, CrystEngComm, 2020, 22, 961
DOI: 10.1039/C9CE01950B

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