{"paper":{"title":"Rietveld Refinement and NMR Crystallographic Investigations of Multicomponent Crystals Containing Alkali Metal Chlorides and Urea","license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","headline":"","cross_cats":["cond-mat.soft"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Cameron S. Vojvodin, Christine E. A. Kirschhock, David A. Hirsh, Eric Breynaert, Igor Huski\\'c, Luis Betancourt, Robert W. Schurko, Sanjaya Senanayake, Sean T. Holmes, Tomislav Fri\\v{s}\\v{c}i\\'c, Wenqian Xu","submitted_at":"2025-03-24T09:21:01Z","abstract_excerpt":"New mechanochemical preparations of three multicomponent crystals (MCCs) of the form MCl:urea.nH2O (M = Li+, Na+, and Cs+) are reported. Their structures were determined by an NMR crystallography approach, combining Rietveld refinement of synchrotron powder X-ray diffraction data (PXRD), multinuclear (35Cl, 7Li, 23Na, and 133Cs) solid-state NMR (SSNMR) spectroscopy, and thermal analysis. Mechanochemical syntheses of the three MCCs, two of which are novel, are optimized for maximum yield and efficiency. 35Cl SSNMR is well-suited for the structural characterization of these MCCs since it is sens"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2503.18475","kind":"arxiv","version":1},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2503.18475/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}