Corrigendum: An NMR-Driven Crystallography Strategy to Overcome the Computability Limit of Powder Structure Determination: A Layered Aluminophosphate Case.

Abstract

Following discussions among the authors of the paper (Versailles March 3rd, 2014, updated June 5th 2016), the corrections listed below are to be included: The author list has been updated. The full list, plus address [f] for Dr. Julien Dutour, is given below: Boris Bouchevreau,[a] Dr. Charlotte Martineau,*[a] Dr. Caroline Mellot-Draznieks,[b] Dr. Julien Dutour,[f] Dr. Alain Tuel,[c] Dr. Matthew R. Suchomel,[d] Dr. Julien Trébosc,[e] Prof. Olivier Lafon,[e] Prof. Jean-Paul Amoureux,[e] and Dr. Francis Taulelle*[a] [f] Institut Lavoisier de Versailles, CNRS UMR 8180, Université de Versailles Saint-Quentin en Yvelines, 45 avenue des États-Unis, 78035 Versailles Cedex, France. Reference [6] should be added after the sentence on the second page, 4th paragraph, in the left column, to read: The SPD pattern of AlPO4-(Al5P7)-DAE could nonetheless be indexed easily by a tetragonal unit cell with refined parameters a=15.826(1) and c=22.684(1) Å, and the observed hkl reflection conditions indicated the non-centro-symmetrical space group P42bc.[6] Following the addition of a sentence at the end of the 5th paragraph in the left column on the second page, the text should read as follows: However, after ten days of calculations on a standard desktop computer, no convergence to a reliable solution was achieved with this set of small fragments despite the high quality of the SPD data. In order to introduce additional structural information, high-resolution one (1D) and two (2D) NMR experiments were undertaken. This approach differs with the reduction of parameters undertaken in ref. [6] on the basis of crystallochemical intuition. Modified reference [6]: [6] a) Dutour, J., PhD Dissertation, University of Versailles Saint-Quentin en Yvelines, Versailles (France) 2006, http://www.theses.fr/2006VERS0027; b) Guillou, N.; ESRF, 2005, http://ftp.esrf.eu/pub/UserReports/26614_B.pdf; c) N. Guillou, C. Mellot-Draznieks, J. Dutour, A. Tuel, F. Taulelle, W. van Beek, G. Férey, Book of Abstracts 10th European Powder Diffraction Conference, p. 110, MS4-P37, Geneva, 1–4 September 2006.