Pentacoordinated silicon in the high-pressure modification of datolite, CaBSiO4(OH)

Liudmila A. Gorelova, Anna S. Pakhomova, Georgios Aprilis, Leonid S. Dubrovinsky, Sergey V. Krivovichev

Research output

3 Citations (Scopus)

Abstract

A new modification of borosilicate datolite, CaBSiO4(OH), has been discovered using synchrotron-based in situ high-pressure single-crystal X-ray diffraction. The phase transition from low (I) to high (II) pressure modification is isosymmetric and occurs between 27 and 33 GPa. The crystal structure of datolite-II contains pentacoordinated Si atoms forming SiO5 triangular bipyramids that share edges to form Si2O8 dimers. The dimers are linked through BO4 tetrahedra, resulting in the [B(SiO4)OH]2- layers of a novel topology that has not previously been observed in inorganic compounds. Datolite-II is only the second inorganic structure that contains Si in purely fivefold coordination. The results obtained shed new light on the high-pressure behaviour of silicates and demonstrate that cold compression can be considered as a low-energy pathway to metastable structures, which might possess unusual and unexpected coordination geometries and topologies.

Original languageEnglish
Pages (from-to)1653-1660
Number of pages8
JournalInorganic Chemistry Frontiers
Volume5
Issue number7
DOIs
Publication statusPublished - 1 Jul 2018

Fingerprint

Silicon
Dimers
Topology
Inorganic compounds
Silicates
Synchrotrons
Crystal structure
Phase transitions
Single crystals
X ray diffraction
Atoms
Geometry

Scopus subject areas

  • Inorganic Chemistry

Cite this

Gorelova, Liudmila A. ; Pakhomova, Anna S. ; Aprilis, Georgios ; Dubrovinsky, Leonid S. ; Krivovichev, Sergey V. / Pentacoordinated silicon in the high-pressure modification of datolite, CaBSiO4(OH). In: Inorganic Chemistry Frontiers. 2018 ; Vol. 5, No. 7. pp. 1653-1660.
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abstract = "A new modification of borosilicate datolite, CaBSiO4(OH), has been discovered using synchrotron-based in situ high-pressure single-crystal X-ray diffraction. The phase transition from low (I) to high (II) pressure modification is isosymmetric and occurs between 27 and 33 GPa. The crystal structure of datolite-II contains pentacoordinated Si atoms forming SiO5 triangular bipyramids that share edges to form Si2O8 dimers. The dimers are linked through BO4 tetrahedra, resulting in the [B(SiO4)OH]2- layers of a novel topology that has not previously been observed in inorganic compounds. Datolite-II is only the second inorganic structure that contains Si in purely fivefold coordination. The results obtained shed new light on the high-pressure behaviour of silicates and demonstrate that cold compression can be considered as a low-energy pathway to metastable structures, which might possess unusual and unexpected coordination geometries and topologies.",
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Pentacoordinated silicon in the high-pressure modification of datolite, CaBSiO4(OH). / Gorelova, Liudmila A.; Pakhomova, Anna S.; Aprilis, Georgios; Dubrovinsky, Leonid S.; Krivovichev, Sergey V.

In: Inorganic Chemistry Frontiers, Vol. 5, No. 7, 01.07.2018, p. 1653-1660.

Research output

TY - JOUR

T1 - Pentacoordinated silicon in the high-pressure modification of datolite, CaBSiO4(OH)

AU - Gorelova, Liudmila A.

AU - Pakhomova, Anna S.

AU - Aprilis, Georgios

AU - Dubrovinsky, Leonid S.

AU - Krivovichev, Sergey V.

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AB - A new modification of borosilicate datolite, CaBSiO4(OH), has been discovered using synchrotron-based in situ high-pressure single-crystal X-ray diffraction. The phase transition from low (I) to high (II) pressure modification is isosymmetric and occurs between 27 and 33 GPa. The crystal structure of datolite-II contains pentacoordinated Si atoms forming SiO5 triangular bipyramids that share edges to form Si2O8 dimers. The dimers are linked through BO4 tetrahedra, resulting in the [B(SiO4)OH]2- layers of a novel topology that has not previously been observed in inorganic compounds. Datolite-II is only the second inorganic structure that contains Si in purely fivefold coordination. The results obtained shed new light on the high-pressure behaviour of silicates and demonstrate that cold compression can be considered as a low-energy pathway to metastable structures, which might possess unusual and unexpected coordination geometries and topologies.

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