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

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ID: 147583
2017
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Ranked #21 of 40 articles by views in european journal of orthopaedic surgery & traumatology : orthopedie traumatologie

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Abstract
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.
Reference Key
pakhomova2017iucrja Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors ;Anna Pakhomova;Elena Bykova;Maxim Bykov;Konstantin Glazyrin;Biliana Gasharova;Hanns-Peter Liermann;Mohamed Mezouar;Liudmila Gorelova;Sergey Krivovichev;Leonid Dubrovinsky
Journal european journal of orthopaedic surgery & traumatology : orthopedie traumatologie
Year 2017
DOI
10.1107/S2052252517010612
URL
http://scripts.iucr.org/cgi-bin/paper?S2052252517010612
Keywords
polymorphism phase transitions

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