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Edge-sharing BO4 te...
Edge-sharing BO4 tetrahedra and penta-coordinated silicon in the high-pressure modification of NaBSi3O8
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- Gorelova, Liudmila (author)
- St Petersburg State Univ, Russia
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- Pakhomova, Anna (author)
- DESY, Germany; European Synchrotron Radiat Facil, France
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- Aprilis, Georgios (author)
- Univ Bayreuth, Germany
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- Yin, Yuqing (author)
- Univ Bayreuth, Germany
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- Laniel, Dominique (author)
- Univ Bayreuth, Germany
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- Winkler, Bjoern (author)
- Frankfurt Univ, Germany
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- Krivovichev, Sergey (author)
- St Petersburg State Univ, Russia; Russian Acad Sci, Russia
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- Pekov, Igor (author)
- Moscow MV Lomonosov State Univ, Russia
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- Doubrovinckaia, Natalia, Gästprofessor (author)
- Linköpings universitet,Teoretisk Fysik,Tekniska fakulteten,Univ Bayreuth, Germany
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- Dubrovinsky, Leonid (author)
- Univ Bayreuth, Germany
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(creator_code:org_t)
- 2022
- 2022
- English.
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In: Inorganic Chemistry Frontiers. - : ROYAL SOC CHEMISTRY. - 2052-1545 .- 2052-1553. ; 9:8, s. 1735-1742
- Related links:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
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- The high-pressure behavior of the borosilicate reedmergnerite NaBSi3O8 has been studied using in situ single-crystal X-ray diffraction and Raman spectroscopy up to 35 GPa. The crystal structure of NaBSi3O8 contracts homogeneously upon compression up to 12 GPa, while at higher pressures it undergoes two phase transitions. Above 16 GPa the unit-cell volume is doubled, whereas the coordination numbers of all cations and the structural topology are preserved. Above 25 GPa the crystal structure of NaBSi3O8 contains extremely rare dimers of edge-sharing BO4 tetrahedra and earlier unknown Si2O5 groups consisting of edge-sharing SiO5 square pyramids. The structural model was corroborated by DFT calculations. This HP modification results in the first example of a borosilicate compound with edge-sharing BO4 tetrahedra.
Subject headings
- NATURVETENSKAP -- Kemi -- Oorganisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Inorganic Chemistry (hsv//eng)
Publication and Content Type
- ref (subject category)
- art (subject category)
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Gorelova, Liudmi ...
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Pakhomova, Anna
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Aprilis, Georgio ...
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Yin, Yuqing
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Laniel, Dominiqu ...
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Winkler, Bjoern
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show more...
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Krivovichev, Ser ...
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Pekov, Igor
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Doubrovinckaia, ...
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Dubrovinsky, Leo ...
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- About the subject
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Chemical Science ...
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and Inorganic Chemis ...
- Articles in the publication
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Inorganic Chemis ...
- By the university
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Linköping University