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Twinning in Zr-Based Metal-Organic Framework Crystals

Centre for Materials Science and Nanotechnology, University of Oslo, P.O. box 1126 Blindern, 0318 Oslo, Norway
Author to whom correspondence should be addressed.
Received: 19 August 2020 / Revised: 9 September 2020 / Accepted: 14 September 2020 / Published: 16 September 2020
Ab initio structure determination of new metal-organic framework (MOF) compounds is generally done by single crystal X-ray diffraction, but this technique can yield incorrect crystal structures if crystal twinning is overlooked. Herein, the crystal structures of three Zirconium-based MOFs, that are especially prone to twinning, have been determined from twinned crystals. These twin laws (and others) could potentially occur in many MOFs or related network structures, and the methods and tools described herein to detect and treat twinning could be useful to resolve the structures of affected crystals. Our results highlight the prevalence (and sometimes inevitability) of twinning in certain Zr-MOFs. Of special importance are the works of Howard Flack which, in addition to fundamental advances in crystallography, provide accessible tools for inexperienced crystallographers to take twinning into account in structure elucidation. View Full-Text
Keywords: MOFs; crystallography; twinning MOFs; crystallography; twinning
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MDPI and ACS Style

Øien-Ødegaard, S.; Lillerud, K.P. Twinning in Zr-Based Metal-Organic Framework Crystals. Chemistry 2020, 2, 777-786.

AMA Style

Øien-Ødegaard S, Lillerud KP. Twinning in Zr-Based Metal-Organic Framework Crystals. Chemistry. 2020; 2(3):777-786.

Chicago/Turabian Style

Øien-Ødegaard, Sigurd, and Karl P. Lillerud 2020. "Twinning in Zr-Based Metal-Organic Framework Crystals" Chemistry 2, no. 3: 777-786.

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