{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,28]],"date-time":"2026-04-28T05:47:08Z","timestamp":1777355228920,"version":"3.51.4"},"reference-count":40,"publisher":"Wiley","issue":"48","license":[{"start":{"date-parts":[[2019,12,20]],"date-time":"2019-12-20T00:00:00Z","timestamp":1576800000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":["chemistry-europe.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Eur J Inorg Chem"],"published-print":{"date-parts":[[2019,12,31]]},"abstract":"<jats:p>Despite the interest in (anti\u2010)perovskites and diverse hydrides as hydride conductors and all\u2010solid\u2010state battery materials, little experimental evidence on anion diffusion in these compounds is available. Herein, we use neutron diffraction at high temperatures to discover pathways and estimate activation barriers of anion migration in mechanosynthesized powders of BaLiF<jats:sub>3<\/jats:sub>, BaLiH<jats:sub>3<\/jats:sub>, and BaLiD<jats:sub>3<\/jats:sub>. We critically assess the limitations of both current methods for deriving effective one\u2010particle potentials (i.e., via modelling of the probability\u2010density function and via maximum\u2010entropy reconstruction of the scatterer density). The suggested migration pathways run roughly along the edges of the Li<jats:italic>X<\/jats:italic><jats:sub>6<\/jats:sub> octahedra with activation energies of 0.45(3), ca. 0.41, and less than 1.44(3) eV in BaLiD<jats:sub>3<\/jats:sub>, BaLiH<jats:sub>3<\/jats:sub>, and BaLiF<jats:sub>3<\/jats:sub>, respectively. Not only is this the first determination of diffusion barriers in these hydrides but also the second study providing any comparative data on the two methods of derivation.<\/jats:p>","DOI":"10.1002\/ejic.201901232","type":"journal-article","created":{"date-parts":[[2019,12,3]],"date-time":"2019-12-03T09:25:42Z","timestamp":1575365142000},"page":"5085-5088","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":10,"title":["And Yet It Moves: A High\u2010Temperature Neutron Diffraction Study of Ion Diffusion in the Inverse Perovskites BaLi<i>X<\/i><sub>3<\/sub> (<i>X<\/i> = F, H, D)"],"prefix":"10.1002","volume":"2019","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-6294-3205","authenticated-orcid":false,"given":"Dennis","family":"Wiedemann","sequence":"first","affiliation":[{"name":"Institut f\u00fcr Chemie Technische Universit\u00e4t Berlin  Stra\u00dfe des 17. Juni 135 10623 Berlin Germany"}]},{"given":"Eva Maria","family":"Heppke","sequence":"additional","affiliation":[{"name":"Institut f\u00fcr Chemie Technische Universit\u00e4t Berlin  Stra\u00dfe des 17. Juni 135 10623 Berlin Germany"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8112-5205","authenticated-orcid":false,"given":"Alexandra","family":"Franz","sequence":"additional","affiliation":[{"name":"Abteilung Struktur und Dynamik von Energiematerialien Helmholtz\u2010Zentrum Berlin f\u00fcr Materialien und Energie  Hahn\u2010Meitner\u2010Platz 1 14109 Berlin Germany"}]}],"member":"311","published-online":{"date-parts":[[2019,12,20]]},"reference":[{"key":"e_1_2_5_2_1","doi-asserted-by":"publisher","DOI":"10.1111\/j.1151-2916.1954.tb13992.x"},{"key":"e_1_2_5_3_1","unstructured":"Wikipedia contributors \u201cAntiperovskite (structure)\u201d to be found underhttps:\/\/en.wikipedia.org\/w\/index.php?title=Antiperovskite_(structure)&oldid=902844119 2019."},{"key":"e_1_2_5_4_1","doi-asserted-by":"publisher","DOI":"10.1107\/S0365110X52002240"},{"key":"e_1_2_5_5_1","doi-asserted-by":"publisher","DOI":"10.1021\/ic50015a042"},{"key":"e_1_2_5_6_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.1668040"},{"key":"e_1_2_5_7_1","unstructured":"The term \u201chydride\u201d denotes the title compound containing hydrogen in its natural mixture whereas \u201cdeuteride\u201d refers to the isotopically substituted compound containing only hydrogen\u20102. \u201cHydrides\u201d is used as an umbrella term for both compounds."},{"key":"e_1_2_5_8_1","doi-asserted-by":"publisher","DOI":"10.1107\/S0567739476001551"},{"key":"e_1_2_5_9_1","doi-asserted-by":"crossref","first-page":"315","DOI":"10.1002\/9780470166048.ch5","volume-title":"Progress in Inorganic Chemistry","author":"Gibb T. 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