Title Structural, electrochemical and magnetic properties of a novel $KFeSO_{4}F$ polymorph Structural, electrochemical and magnetic properties of a novel $KFeSO_{4}F$ polymorph Author Lander, Laura Rousse, Gwenaelle Abakumov, Artem M. Sougrati, Moulay van Tendelood, Gustaaf Tarascon, Jean-Marie Faculty/Department Faculty of Sciences. Physics Publication type article Publication 2015 Cambridge , 2015 Subject Physics Chemistry Engineering sciences. Technology Source (journal) Journal of materials chemistry A : materials for energy and sustainability / Royal Society of Chemistry. - Cambridge, 2013, currens Volume/pages 3(2015) :39 , p. 19754-19764 ISSN 2050-7488 ISI 000362041300018 Carrier E Target language English (eng) Full text (Publishers DOI) Affiliation University of Antwerp Abstract In the quest for sustainable and low-cost positive electrode materials for Li-ion batteries, we discovered, as reported herein, a new low temperature polymorph of KFeSO4F. Contrary to the high temperature phase crystallizing in a KTiOPO4-like structure, this new phase adopts a complex layer-like structure built on FeO4F2 octahedra and SO4 tetrahedra, with potassium cations located in between the layers, as solved using neutron and synchrotron diffraction experiments coupled with electron diffraction. The detailed analysis of the structure reveals an alternation of edge-and corner-shared FeO4F2 octahedra leading to a large monoclinic cell of 1771.774(7) angstrom(3). The potassium atoms are mobile within the structure as deduced by ionic conductivity measurements and confirmed by the bond valence energy landscape approach thus enabling a partial electrochemical removal of K+ and uptake of Li+ at an average potential of 3.7 V vs. Li+/Li-0. Finally, neutron diffraction experiments coupled with SQUID measurements reveal a long range antiferromagnetic ordering of the Fe2+ magnetic moments below 22 K with a possible magnetoelectric behavior. E-info http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000362041300018&DestLinkType=RelatedRecords&DestApp=ALL_WOS&UsrCustomerID=ef845e08c439e550330acc77c7d2d848 http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000362041300018&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=ef845e08c439e550330acc77c7d2d848 Full text (open access) https://repository.uantwerpen.be/docman/irua/fdea29/132566.pdf E-info http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000362041300018&DestLinkType=CitingArticles&DestApp=ALL_WOS&UsrCustomerID=ef845e08c439e550330acc77c7d2d848 Handle