Synthesis, crystal structure and structure-property relations of strontium orthocarbonate, Sr₂CO₄

DOI zum Zitieren der Version auf EPub Bayreuth: https://doi.org/10.15495/EPub_UBT_00005743
URN to cite this document: urn:nbn:de:bvb:703-epub-5743-3

Title data

Laniel, Dominique ; Binck, Jannes ; Winkler, Björn ; Vogel, Sebastian ; Fedotenko, Timofey ; Chariton, Stella ; Prakapenka, Vitali ; Milman, Victor ; Schnick, Wolfgang ; Dubrovinsky, Leonid ; Dubrovinskaia, Natalia:
Synthesis, crystal structure and structure-property relations of strontium orthocarbonate, Sr₂CO₄.
In: Acta Crystallographica Section B. Vol. 77 (2021) Issue 1 . - pp. 131-137.
ISSN 2052-5206
DOI der Verlagsversion: https://doi.org/10.1107/S2052520620016650

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Abstract

Carbonates containing CO4 groups as building blocks have recently been discovered. A new orthocarbonate, Sr2CO4 is synthesized at 92 GPa and at a temperature of 2500 K. Its crystal structure was determined by in situ synchrotron single-crystal X-ray diffraction, selecting a grain from a polycrystalline sample. Strontium orthocarbonate crystallizes in the orthorhombic crystal system (space group Pnma) with CO4, SrO9 and SrO11 polyhedra as the main building blocks. It is isostructural to Ca2CO4. DFT calculations reproduce the experimental findings very well and have, therefore, been used to predict the equation of state, Raman and IR spectra, and to assist in the discussion of bonding in this compound.

Further data

Item Type:	Article in a journal
Keywords:	orthocarbonates; crystal structure; single-crystal X-ray diffraction; high pressure; Sr2CO4
DDC Subjects:	500 Science > 530 Physics
Institutions of the University:	Faculties Faculties > Faculty of Mathematics, Physics und Computer Science Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences > Chair Crystallography Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences > Chair Crystallography > Chair Crystallography - Univ.-Prof. Dr. Sander van Smaalen Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences > Professor Materials Physics and Technology at Extreme Conditions > Professor Materials Physics and Technology at Extreme Conditions - Univ.-Prof. Dr. Natalia Doubrovinckaia Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences > Professor Materials Physics and Technology at Extreme Conditions
Language:	English
Originates at UBT:	Yes
URN:	urn:nbn:de:bvb:703-epub-5743-3
Date Deposited:	01 Sep 2021 08:48
Last Modified:	01 Sep 2021 08:49
URI:	https://epub.uni-bayreuth.de/id/eprint/5743

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