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In this study, magnesium chloride heptahydrate, MgCl\n                    <jats:sub>2<\/jats:sub>\n                    \u00b77H\n                    <jats:sub>2<\/jats:sub>\n                    O (or MgCl\n                    <jats:sub>2<\/jats:sub>\n                    \u00b77D\n                    <jats:sub>2<\/jats:sub>\n                    O), which forms at high pressures above 2\u2005GPa and high temperatures above 300\u2005K, has been identified. Its structure has been determined by a combination of\n                    <jats:italic>in<\/jats:italic>\n                    -\n                    <jats:italic>situ<\/jats:italic>\n                    single-crystal X-ray diffraction at 2.5\u2005GPa and 298\u2005K and powder neutron diffraction at 3.1\u2005GPa and 300\u2005K. The single-crystal specimen was grown by mixing alcohols to prevent nucleation of undesired crystalline phases. The results show orientational disorder of water molecules, which was also examined using density functional theory calculations. The disorder involves the reconnection of hydrogen bonds, which differs from those in water ice phases and known disordered salt hydrates. Shrinkage by compression occurs mainly in one direction. In the plane perpendicular to this most compressible direction, oxygen and chlorine atoms are in a hexagonal-like arrangement.\n                  <\/jats:p>","DOI":"10.1107\/s205252062400903x","type":"journal-article","created":{"date-parts":[[2024,10,27]],"date-time":"2024-10-27T10:12:59Z","timestamp":1730023979000},"page":"695-705","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":8,"title":["Crystal structure and compressibility of magnesium chloride heptahydrate found under high pressure"],"prefix":"10.1107","volume":"80","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-3215-3995","authenticated-orcid":true,"given":"Keishiro","family":"Yamashita","sequence":"first","affiliation":[{"id":[{"id":"https:\/\/ror.org\/057zh3y96","id-type":"ROR","asserted-by":"publisher"}],"department":["Geochemical Research Center, Graduate School of Science"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3573-9174","authenticated-orcid":true,"given":"Kazuki","family":"Komatsu","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/057zh3y96","id-type":"ROR","asserted-by":"publisher"}],"department":["Geochemical Research Center, Graduate School of Science"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1968-3732","authenticated-orcid":true,"given":"Takanori","family":"Hattori","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/05nf86y53","id-type":"ROR","asserted-by":"publisher"}],"department":["J-PARC Center"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6986-6326","authenticated-orcid":true,"given":"Shinichi","family":"Machida","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/03gb41d27","id-type":"ROR","asserted-by":"publisher"}],"department":["Neutron Science and Technology Center"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8587-1213","authenticated-orcid":true,"given":"Hiroyuki","family":"Kagi","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/057zh3y96","id-type":"ROR","asserted-by":"publisher"}],"department":["Geochemical Research Center, Graduate School of Science"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"329","published-online":{"date-parts":[[2024,10,21]]},"reference":[{"key":"ne5015_bb1","doi-asserted-by":"crossref","first-page":"8","DOI":"10.1107\/S0108270185002591","volume":"41","author":"Agron","year":"1985","journal-title":"Acta Cryst. 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