{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,30]],"date-time":"2026-07-30T13:18:44Z","timestamp":1785417524076,"version":"3.56.0"},"reference-count":13,"publisher":"International Union of Crystallography (IUCr)","issue":"4","license":[{"start":{"date-parts":[[2026,6,16]],"date-time":"2026-06-16T00:00:00Z","timestamp":1781568000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/journals.iucr.org\/services\/copyrightpolicy.html"},{"start":{"date-parts":[[2026,6,16]],"date-time":"2026-06-16T00:00:00Z","timestamp":1781568000000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/journals.iucr.org\/services\/copyrightpolicy.html#TDM"}],"content-domain":{"domain":["iucr.org","wiley.com","iucrj.org"],"crossmark-restriction":true},"short-container-title":["Acta Crystallogr A Found Adv","Acta Crystallogr A","Acta Crystallogr A Found Crystallogr","Acta Cryst A","Acta Cryst A Found Adv","Acta Cryst Sect A","Acta Cryst Sect A Found Adv","Acta Crystallogr Sect A","Acta Crystallogr Sect A Found Adv","Acta Crystallogr Sect A Found Crystallogr"],"accepted":{"date-parts":[[2026,5,7]]},"published-print":{"date-parts":[[2026,7,1]]},"abstract":"<jats:p>\n                    This work introduces reverse EXAFS analysis (REA), a novel,\n                    <jats:italic>ab initio<\/jats:italic>\n                    framework that transforms extended X-ray absorption fine structure (EXAFS) spectroscopy from a complementary local probe into a primary tool for\n                    <jats:italic>de novo<\/jats:italic>\n                    crystal structure determination. By integrating iterative\n                    <jats:italic>FEFF<\/jats:italic>\n                    simulations with a reverse-fitting algorithm, REA directly extracts full crystallographic parameters, lattice constants, space group and atomic positions, from EXAFS oscillations, without requiring the user to supply an initial structural model from X-ray diffraction; instead, candidate models are retrieved from crystallographic databases and evaluated against EXAFS data. Validated on LiCrO\n                    <jats:sub>2<\/jats:sub>\n                    and CuFeO\n                    <jats:sub>2<\/jats:sub>\n                    , REA uncovered unexpected phase complexities in CuFeO\n                    <jats:sub>2<\/jats:sub>\n                    , identifying secondary CuFe\n                    <jats:sub>2<\/jats:sub>\n                    O\n                    <jats:sub>4<\/jats:sub>\n                    and CuFe\n                    <jats:sub>5<\/jats:sub>\n                    O\n                    <jats:sub>8<\/jats:sub>\n                    phases undetected by conventional methods. This paradigm shift enables accurate structure solving in disordered, nanostructured and novel materials where diffraction fails, establishing EXAFS as a stand-alone crystallographic technique.\n                  <\/jats:p>","DOI":"10.1107\/s2053273326004766","type":"journal-article","created":{"date-parts":[[2026,6,11]],"date-time":"2026-06-11T14:04:33Z","timestamp":1781186673000},"page":"321-330","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":0,"title":["Beyond complementarity: a reverse-engineering framework for\n                    <i>de novo<\/i>\n                    crystal structure determination from EXAFS"],"prefix":"10.1107","volume":"82","author":[{"given":"O. Murat","family":"Ozkendir","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Selen","family":"Gunaydin","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/00yze4d93","id-type":"ROR","asserted-by":"publisher"}],"department":["Faculty of Engineering and Natural Sciences"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"329","published-online":{"date-parts":[[2026,6,16]]},"reference":[{"key":"wo5052_bb1","doi-asserted-by":"crossref","first-page":"7565","DOI":"10.1103\/PhysRevB.58.7565","volume":"58","author":"Ankudinov","year":"1998","journal-title":"Phys. Rev. B"},{"key":"wo5052_bb2","doi-asserted-by":"crossref","first-page":"428","DOI":"10.1098\/rspa.1913.0040","volume":"88","author":"Bragg","year":"1913","journal-title":"Proc. Roy. Soc. London. Ser. A"},{"key":"wo5052_bb3","doi-asserted-by":"crossref","first-page":"053410","DOI":"10.1116\/6.0004422","volume":"43","author":"Gottwald","year":"2025","journal-title":"J. Vac. Sci. Technol. A"},{"key":"wo5052_bb4","first-page":"299","volume":"8","author":"G\u00fcm\u00fcs","year":"2006","journal-title":"J. OptoElec. Adv. Mater."},{"key":"wo5052_bb5","unstructured":"Gunaydin, S. (2023). PhD thesis, Tarsus University, Tarsus, Mersin, T\u00fcrkiye."},{"key":"wo5052_bb6","doi-asserted-by":"crossref","first-page":"103571","DOI":"10.1016\/j.mtcomm.2022.103571","volume":"31","author":"Gunaydin","year":"2022","journal-title":"Mater. Today Commun."},{"key":"wo5052_bb7","doi-asserted-by":"crossref","first-page":"3763","DOI":"10.1016\/j.matt.2023.09.010","volume":"6","author":"Joress","year":"2023","journal-title":"Matter"},{"key":"wo5052_bb8","doi-asserted-by":"crossref","first-page":"1272","DOI":"10.1107\/S0021889811038970","volume":"44","author":"Momma","year":"2011","journal-title":"J. Appl. Cryst."},{"key":"wo5052_bb9","unstructured":"Neville, M. & Ravel, B. (2024). International Tables for Crystallography, Vol. I, X-ray Absorption Spectroscopy and Related Techniques, edited by C. T. Chantler, F. Boscherini and B. Bunker, ch. 5.10, pp. 678-682. International Union of Crystallography."},{"key":"wo5052_bb10","doi-asserted-by":"crossref","first-page":"2906","DOI":"10.1007\/s11661-016-3457-z","volume":"47","author":"Ozkendir","year":"2016","journal-title":"Metall. Mater. Trans. A"},{"key":"wo5052_bb11","doi-asserted-by":"crossref","first-page":"2993","DOI":"10.1007\/s11661-017-4088-8","volume":"48","author":"Ozkendir","year":"2017","journal-title":"Metall. Mater. Trans. A"},{"key":"wo5052_bb12","doi-asserted-by":"crossref","first-page":"4699","DOI":"10.1007\/s11664-023-10434-6","volume":"52","author":"Ozkendir","year":"2023","journal-title":"J. Electron. Mater."},{"key":"wo5052_bb13","doi-asserted-by":"crossref","first-page":"537","DOI":"10.1107\/S0909049505012719","volume":"12","author":"Ravel","year":"2005","journal-title":"J. Synchrotron Rad."}],"container-title":["Acta Crystallographica Section A Foundations and Advances"],"original-title":[],"link":[{"URL":"https:\/\/journals.iucr.org\/a\/issues\/2026\/04\/00\/wo5052\/wo5052.pdf","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/journals.iucr.org\/a\/issues\/2026\/04\/00\/wo5052\/wo5052.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,7,6]],"date-time":"2026-07-06T08:08:41Z","timestamp":1783325321000},"score":1,"resource":{"primary":{"URL":"https:\/\/journals.iucr.org\/paper?S2053273326004766"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,6,16]]},"references-count":13,"journal-issue":{"issue":"4","published-online":{"date-parts":[[2026,7]]}},"alternative-id":["S2053273326004766"],"URL":"https:\/\/doi.org\/10.1107\/s2053273326004766","relation":{},"ISSN":["2053-2733"],"issn-type":[{"value":"2053-2733","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,6,16]]},"assertion":[{"value":"Acta Crystallographica Section A: Foundations and Advances","order":0,"name":"journal","label":"Publication","explanation":{"URL":"https:\/\/journals.iucr.org\/a"},"group":{"name":"general","label":"General"}},{"value":"research papers","order":1,"name":"content_type","label":"Content type","explanation":{"URL":"https:\/\/journals.iucr.org\/a\/services\/notesforauthors.html"},"group":{"name":"general","label":"General"}},{"value":"Available","URL":"https:\/\/scripts.iucr.org\/cgi-bin\/citedin?wo5052","order":2,"name":"article_metrics","label":"Article metrics","group":{"name":"general","label":"General"}},{"value":"Yes","order":0,"name":"peer_reviewed","label":"Peer reviewed","group":{"name":"peer_review","label":"Peer review"}},{"value":"Single blind","order":1,"name":"review_process","label":"Review process","group":{"name":"peer_review","label":"Peer review"}},{"value":"22 December 2025","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication history"}},{"value":"7 May 2026","order":1,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication history"}},{"value":"16 June 2026","order":2,"name":"published_online","label":"Published online","group":{"name":"publication_history","label":"Publication history"}},{"value":"\u00a9 Ozkendir and Gunaydin","order":0,"name":"copyright","label":"Copyright","explanation":{"URL":"https:\/\/journals.iucr.org\/services\/copyrightpolicy.html"},"group":{"name":"copyright_and_licensing","label":"Copyright and licencing"}},{"value":"IUCr licence to publish","order":1,"name":"license","label":"Licence","explanation":{"URL":"https:\/\/journals.iucr.org\/copyright\/licencetopublish.html"},"group":{"name":"copyright_and_licencing","label":"Copyright and licencing"}}]}}