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Incommensurate structures of the [CH3NH3][Co(COOH)3] compound
Laura Canadillas-Delgado1,2, Lidia Mazzuca1, Oscar Fabelo1
1Diffraction Group, Institut Laue Langevin, 71, avenue des Martyrs, Grenoble 38042, France.
Iucrj
|February 5, 2019
Summary
This study characterizes structural phase transitions in the [CH3NH3][Co(COOH)3] perovskite-like compound using neutron diffraction. New incommensurate and commensurate phases were identified, altering the crystal structure and electrical properties.
Area of Science:
- Materials Science
- Crystallography
- Solid-State Chemistry
Background:
- Metal-organic compounds with perovskite-like structures exhibit diverse properties.
- Understanding structural phase transitions is crucial for tuning material functionalities.
- Previous studies reported some phases of [CH3NH3][Co(COOH)3] (1).
Purpose of the Study:
- To comprehensively characterize the structural phase transitions of [CH3NH3][Co(COOH)3] (1).
- To identify and describe previously unreported crystallographic phases.
- To correlate structural changes with alterations in the hydrogen-bonded network and electrical properties.
Main Methods:
- Variable-temperature single-crystal neutron diffraction.
- Crystallographic analysis of phase transitions.
- Characterization of crystal structure changes with temperature.
Main Results:
- Compound 1 undergoes multiple phase transitions upon cooling from room temperature.
- New incommensurate (phase II, III) and commensurate (phase IV) phases were identified.
- Phase transitions involve distortions of the [Co(HCOO)3]- framework and reorganization of [CH3NH3]+ ions.
- Observed structural changes impact the hydrogen-bonded network and electrical properties.
Conclusions:
- The study reveals a complex sequence of structural phase transitions in [CH3NH3][Co(COOH)3] (1).
- New crystallographic phases and their characteristics were described.
- The findings provide insights into structure-property relationships in metal-organic perovskites.
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