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A Germanate with a Collapsible Open-Framework

DOI: 10.1021/acs.cgd.6b01150 DOI Help

Authors: A. Ken Inge (Inorganic and Structural Chemistry and Berzelii Center EXSELENT on Porous Materials, Department of Materials and Environmental Chemistry, Stockholm University) , Kirsten E. Christensen (University of Oxford) , Tom Willhammar (Inorganic and Structural Chemistry and Berzelii Center EXSELENT on Porous Materials, Department of Materials and Environmental Chemistry, Stockholm University) , Xiaodong Zou (Inorganic and Structural Chemistry and Berzelii Center EXSELENT on Porous Materials, Department of Materials and Environmental Chemistry, Stockholm University)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Crystal Growth & Design , VOL 16 , PAGES 6967 - 6973

State: Published (Approved)
Published: December 2016
Diamond Proposal Number(s): 8833

Abstract: A novel open-framework germanate, |NC2H8∥N2C6H18|[Ge7O14.5F2]·4H2O denoted SU-65 (SU = Stockholm University), with 24-ring channels and a very low framework density of 8.9 Ge atoms per 1000 Å3 was synthesized under hydro-solvothermal conditions. The framework of SU-65 is built of 5-connected Ge7 clusters decorating the fee net and is a framework orientation isomer to ASU-16. Half of the 8- and 12-rings in ASU-16 are instead 10-rings in SU-65 due to the different orientations of half of the clusters in the crystal structure. Flexibility of the frameworks is also influenced by the orientation of the clusters. The unique unit cell angle in SU-65 changes upon heating, unlike ASU-16 which only undergoes changes in unit cell lengths. SU-65 undergoes significant structural changes at 180 °C in a vacuum, forming SU-65ht. The crystal structure of SU-65ht was investigated by rotation electron diffraction, X-ray powder diffraction, and infrared spectroscopy. Through these techniques it was deduced that SU-65ht has similar clusters, symmetry, and topology as SU-65, but one of the unit cell lengths is shortened by approximately 5 Å. This corresponds to a 22% decrease in unit cell volume.

Subject Areas: Chemistry, Biology and Bio-materials


Instruments: I19-Small Molecule Single Crystal Diffraction