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Design and understanding of solid-state and crystalline materials

Experimental verification of a subtle low-temperature phase transition suggested by DFT-D energy minimisation

Corresponding authors
University of Southern Denmark, Department of Physics and Chemistry, Odense M, Denmark
E-mail: adb@chem.sdu.dk
Avant-garde Materials Simulation, Merzhauser Str. 177, Freiburg im Breisgau, Germany
E-mail: vandestreek@avmatsim.de
CrystEngComm, 2011,13, 1768-1771

DOI: 10.1039/C0CE00676A
Received 27 Sep 2010, Accepted 14 Dec 2010
First published online 20 Jan 2011
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Supplementary Info