{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,1,11]],"date-time":"2025-01-11T05:28:04Z","timestamp":1736573284043,"version":"3.32.0"},"reference-count":0,"publisher":"International Union of Crystallography (IUCr)","issue":"3","license":[{"start":{"date-parts":[[2001,5,25]],"date-time":"2001-05-25T00:00:00Z","timestamp":990748800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/journals.iucr.org\/services\/copyrightpolicy.html"},{"start":{"date-parts":[[2001,5,25]],"date-time":"2001-05-25T00:00:00Z","timestamp":990748800000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/journals.iucr.org\/services\/copyrightpolicy.html#TDM"}],"content-domain":{"domain":["iucr.org","wiley.com","iucrj.org"],"crossmark-restriction":true},"short-container-title":["Acta Crystallogr B Struct Sci","Acta Cryst B","Acta Cryst Sect B","Acta Crystallogr B","Acta Crystallogr Sect B","Acta Crystallogr Sect B Struct Sci"],"accepted":{"date-parts":[[2001,1,19]]},"published-print":{"date-parts":[[2001,6,1]]},"abstract":"<jats:p>The structures of the high- and low-temperature phases of 38% brominated BCCD [betaine (trimethylammonioacetate) calcium chloride dihydrate], the latter being known as the X-phase, have been determined by single-crystal neutron diffraction at 295 and 20\u2005K, respectively. The symmetry of the X-phase is described by the <jats:italic>P<\/jats:italic>2<jats:sub>1<\/jats:sub>2<jats:sub>1<\/jats:sub>2<jats:sub>1<\/jats:sub> space group. The distortion with respect to the high-temperature <jats:italic>Pnma<\/jats:italic> phase is characterized by anti-symmetric displacements of the betaine molecules as well as of the Ca octahedra. On the basis of a symmetry-mode analysis, we propose an interpretation of the direct phase transition that occurs around 80\u2005K between these two phases. <\/jats:p>","DOI":"10.1107\/s0108768101001525","type":"journal-article","created":{"date-parts":[[2002,7,27]],"date-time":"2002-07-27T06:04:34Z","timestamp":1027749874000},"page":"296-302","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":0,"title":["Structure of the X-phase of 38% brominated betaine calcium chloride dihydrate"],"prefix":"10.1107","volume":"57","author":[{"given":"L. G.","family":"Vieira","sequence":"first","affiliation":[]},{"given":"O.","family":"Hernandez","sequence":"additional","affiliation":[]},{"given":"J. L.","family":"Ribeiro","sequence":"additional","affiliation":[]},{"given":"A.","family":"Cousson","sequence":"additional","affiliation":[]},{"given":"J.-M.","family":"Kiat","sequence":"additional","affiliation":[]},{"given":"M. R.","family":"Chaves","sequence":"additional","affiliation":[]},{"given":"A.","family":"Almeida","sequence":"additional","affiliation":[]},{"given":"A.","family":"Kl\u00f6pperpieper","sequence":"additional","affiliation":[]}],"member":"329","published-online":{"date-parts":[[2001,5,25]]},"container-title":["Acta Crystallographica Section B Structural Science"],"original-title":[],"link":[{"URL":"http:\/\/journals.iucr.org\/b\/issues\/2001\/03\/00\/lc0032\/lc0032.pdf","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/journals.iucr.org\/b\/issues\/2001\/03\/00\/lc0032\/lc0032.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,1,10]],"date-time":"2025-01-10T13:24:01Z","timestamp":1736515441000},"score":1,"resource":{"primary":{"URL":"https:\/\/journals.iucr.org\/paper?S0108768101001525"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2001,5,25]]},"references-count":0,"journal-issue":{"issue":"3","published-print":{"date-parts":[[2001,6]]}},"alternative-id":["S0108768101001525"],"URL":"https:\/\/doi.org\/10.1107\/s0108768101001525","relation":{"is-supplemented-by":[{"id-type":"doi","id":"10.1107\/S0108768101001525\/lc0032sup1.cif","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S0108768101001525\/lc0032295Ksup2.hkl","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S0108768101001525\/lc003220Ksup3.hkl","asserted-by":"subject"}]},"ISSN":["0108-7681"],"issn-type":[{"type":"print","value":"0108-7681"}],"subject":[],"published":{"date-parts":[[2001,5,25]]},"assertion":[{"value":"Acta Crystallographica Section B: Structural Science","order":0,"name":"journal","label":"Publication","explanation":{"URL":"http:\/\/journals.iucr.org\/b"},"group":{"name":"general","label":"General"}},{"value":"research papers","order":1,"name":"content_type","label":"Content type","explanation":{"URL":"https:\/\/journals.iucr.org\/b\/services\/notesforauthors.html"},"group":{"name":"general","label":"General"}},{"value":"Available","URL":"http:\/\/scripts.iucr.org\/cgi-bin\/citedin?lc0032","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":"28 September 2000","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication history"}},{"value":"19 January 2001","order":1,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication history"}},{"value":"25 May 2001","order":2,"name":"published_online","label":"Published online","group":{"name":"publication_history","label":"Publication history"}},{"value":"This article has supporting information","name":"supplementary_materials","label":"Supplementary materials","explanation":{"URL":"http:\/\/scripts.iucr.org\/cgi-bin\/sendsup?lc0032"}},{"value":"\u00a9 2001 International Union of Crystallography","order":0,"name":"copyright","label":"Copyright","explanation":{"URL":"http:\/\/journals.iucr.org\/services\/copyrightpolicy.html"},"group":{"name":"copyright_and_licensing","label":"Copyright and licencing"}}]}}