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2005
Structure
D 2000
02- 005
Chiolite, a Case Study for Combining NMR Crystallography, Diffraction and
Structural Simulation. — The layered chiolite structure, Na5Al3F14 is used as a test
case for developing a general approach to solve inorganic structures from powders by
combining NMR, modeling, and XRD. MAS NMR spectroscopy leads to the identification of possible integrant units. Candidate crystal structures are then simulated using
the computational AASBU method, and the consistency of the candidate structures is
checked against the diffraction data. — (DUTOUR, J.; GUILLOU, N.;
HUGUENARD, C.; TAULELLE, F.; MELLOT-DRAZNIEKS*, C.; FEREY, G.;
Solid State Sci. 6 (2004) 10, 1059-1067; Inst. Lavoisier, CNRS, Univ. Versailles St.
Quentin, F-78035 Versailles, Fr.; Eng.) — W. Pewestorf
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