Research output: Contribution to journal › Article › peer-review
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: Contribution to journal › Article › peer-review
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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.
PY - 2018/7/1
Y1 - 2018/7/1
N2 - 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.
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.
UR - http://www.scopus.com/inward/record.url?scp=85049833266&partnerID=8YFLogxK
U2 - 10.1039/c8qi00257f
DO - 10.1039/c8qi00257f
M3 - Article
AN - SCOPUS:85049833266
VL - 5
SP - 1653
EP - 1660
JO - Inorganic Chemistry Frontiers
JF - Inorganic Chemistry Frontiers
SN - 2052-1545
IS - 7
ER -
ID: 35995369