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A closer look into close packing : Pentacoordinated silicon in a high-pressure polymorph of danburite

Pakhomova, Anna; Bykova, Elena; Bykov, Maxim; Glazyrin, Konstantin; Gasharova, Biliana 1; Liermann, Hanns-Peter; Mezouar, Mohamed; Gorelova, Liudmila; Krivovichev, Sergey; Dubrovinsky, Leonid
1 Institut für Beschleunigerphysik und Technologie (IBPT)


Due to their high technological and geological relevance, silicates are one of the most studied classes of inorganic compounds. Under ambient conditions, the silicon in silicates is almost exclusively coordinated by four oxygen atoms, while high-pressure treatment normally results in an increase in the coordination from four- to sixfold. Reported here is a high-pressure single-crystal X-ray diffraction study of danburite, CaB₂Si₂O₈, the first compound showing a step-wise transition of Si coordination from tetrahedral to octahedral through a trigonal bipyramid. Along the compression, the Si₂O₇ groups of danburite first transform into chains of vertice-sharing SiO₅ trigonal bipyramids (danburite-II) and later into chains of edge-sharing SiO₆ octahedra (danburite-III). It is suggested that the unusual formation of an SiO₅ configuration is a consequence of filling up the pentacoordinated voids in the distorted hexagonal close packing of danburite-II.

Verlagsausgabe §
DOI: 10.5445/IR/1000075447
Veröffentlicht am 19.07.2018
DOI: 10.1107/S2052252517010612
Zitationen: 24
Zitationen: 23
Cover der Publikation
Zugehörige Institution(en) am KIT Institut für Beschleunigerphysik und Technologie (IBPT)
Publikationstyp Zeitschriftenaufsatz
Publikationsjahr 2017
Sprache Englisch
Identifikator ISSN: 2052-2525
KITopen-ID: 1000075447
HGF-Programm 56.98.01 (POF III, LK 01) Betrieb in MML
Weitere HGF-Programme 54.01.01 (POF III, LK 01) ps- und fs-Strahlen
Erschienen in IUCrJ
Verlag International Union of Crystallography
Band 4
Heft 5
Seiten 671-677
Bemerkung zur Veröffentlichung Creative Commons Attribution 2.0 England and Wales
Schlagwörter phase transitions, polymorphism, five-coordinate silicon, danburite, silicates
Nachgewiesen in Dimensions
Web of Science
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