{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,1,11]],"date-time":"2025-01-11T05:28:11Z","timestamp":1736573291452,"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":[[2000,12,15]]},"published-print":{"date-parts":[[2001,6,1]]},"abstract":"<jats:p>The <jats:italic>a<\/jats:italic>\n                  <jats:sub>0<\/jats:sub> \u00d7 <jats:italic> b<\/jats:italic>\n                  <jats:sub>0<\/jats:sub> \u00d7 2<jats:italic>c<\/jats:italic>\n                  <jats:sub>0<\/jats:sub> twofold superstructure of dicaesium mercury tetrachloride, Cs<jats:sub>2<\/jats:sub>HgCl<jats:sub>4<\/jats:sub>, at <jats:italic>T<\/jats:italic> = 120\u2005K has been determined by single-crystal X-ray diffraction using synchrotron radiation. Lattice parameters were found as <jats:italic>a<\/jats:italic> = 9.7105\u2005(2), <jats:italic>b<\/jats:italic> = 7.4691 (1), <jats:italic>c<\/jats:italic> = 26.8992 (4) \u00c5, and \u03b2 = 90.368\u2005(1)\u00b0 with the supercell space group <jats:italic>P<\/jats:italic>2<jats:sub>1<\/jats:sub>\/<jats:italic>c<\/jats:italic>. Refinements on 1828 observed unique reflections converged to <jats:italic>R<\/jats:italic> = 0.053 (<jats:italic>wR<\/jats:italic> = 0.057) using anisotropic temperature factors for all atoms. This phase is the stable phase of Cs<jats:sub>2<\/jats:sub>HgCl<jats:sub>4<\/jats:sub> below 163\u2005K. A quantitative comparison is made of the distortions of the 2<jats:italic>c<\/jats:italic>\n                  <jats:sub>0<\/jats:sub> superstructure with the undistorted phase that is stable at room temperature, and with the 3<jats:italic>c<\/jats:italic>\n                  <jats:sub>0<\/jats:sub> and 5<jats:italic>a<\/jats:italic>\n                  <jats:sub>0<\/jats:sub> superstructures that are stable at temperatures between 163\u2005K and room temperature. The principal difference between the 2<jats:italic>c<\/jats:italic>\n                  <jats:sub>0<\/jats:sub> superstructure and all other phases of Cs<jats:sub>2<\/jats:sub>HgCl<jats:sub>4<\/jats:sub> is that the Cs cations are displaced away from the centers of their coordination polyhedra in the 2<jats:italic>c<\/jats:italic>\n                  <jats:sub>0<\/jats:sub> superstructure. The structural basis for the driving force of the series of phase transitions in this compound is found in the variations of the environments of Cs atoms and in the variations of the distortions of the HgCl<jats:sub>4<\/jats:sub> tetrahedra.<\/jats:p>","DOI":"10.1107\/s0108768100020322","type":"journal-article","created":{"date-parts":[[2002,7,27]],"date-time":"2002-07-27T06:04:34Z","timestamp":1027749874000},"page":"231-236","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":6,"title":["Structural basis for the phase transitions of Cs<sub>2<\/sub>HgCl<sub>4<\/sub>"],"prefix":"10.1107","volume":"57","author":[{"given":"Bagautdin","family":"Bagautdinov","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Andreas","family":"Jobst","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jens","family":"Ludecke","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Sander","family":"van Smaalen","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"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\/ck0002\/ck0002.pdf","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/journals.iucr.org\/b\/issues\/2001\/03\/00\/ck0002\/ck0002.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,1,10]],"date-time":"2025-01-10T13:18:55Z","timestamp":1736515135000},"score":1,"resource":{"primary":{"URL":"https:\/\/journals.iucr.org\/paper?S0108768100020322"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2001,5,25]]},"references-count":0,"journal-issue":{"issue":"3","published-print":{"date-parts":[[2001,6]]}},"alternative-id":["S0108768100020322"],"URL":"https:\/\/doi.org\/10.1107\/s0108768100020322","relation":{"is-supplemented-by":[{"id-type":"doi","id":"10.1107\/S0108768100020322\/ck0002sup1.cif","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S0108768100020322\/ck0002s2HgCl4sup2.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?ck0002","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":"15 August 2000","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication history"}},{"value":"15 December 2000","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?ck0002"}},{"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"}}]}}