Algebraic search for cooperative rotational rigid-unit modes

Autor: Branton Campbell, Tyler B. Averett, Christopher J. Howard, Thomas A. Whittle, Siegbert Schmid, Harold T. Stokes

Publikováno v: Acta Crystallographica Section A Foundations and Advances. 73:C379-C379

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::6a5700d9fe2644fa0d782dc410b9dec8
https://doi.org/10.1107/s205327331709194x

Enumeration as a Tool for Structure Solution: A Materials Genomic Approach to Solving the Cation-Ordered Structure of Na3V2(PO4)2F3

Autor: Gerard S. Mattei, Peter G. Khalifah, Christian Masquelier, Emmanuelle Suard, Anubhav Jain, Laurence Croguennec, John Dagdelen, Matteo Bianchini, Alex M. Ganose, Kristin A. Persson, François Fauth, Gerbrand Ceder

Publikováno v: Chemistry of Materials
Chemistry of Materials, American Chemical Society, 2020, 32 (20), pp.8981-8992. ⟨10.1021/acs.chemmater.0c03190⟩
Chemistry of Materials, 2020, 32 (20), pp.8981-8992. ⟨10.1021/acs.chemmater.0c03190⟩
Chemistry of Materials, vol 32, iss 20

International audience; While powder diffraction methods are routinely utilized to optimize structural models for compounds whose crystal structures are known, the determination of unknown structures is far more challenging. When the unknown structur

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::372ab026655abb2b498a1709590ae438
https://doi.org/10.1021/acs.chemmater.0c03190