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High-Pressure Synthesis of the Iodide Carbonate Na₅(CO₃)₂I

Title data

Yin, Yuqing ; Dubrovinsky, Leonid ; Aslandukov, Andrii ; Aslandukova, Alena ; Akbar, Fariia Iasmin ; Zhou, Wenju ; Hanfland, Michael ; Abrikosov, Igor A. ; Dubrovinskaia, Natalia:
High-Pressure Synthesis of the Iodide Carbonate Na₅(CO₃)₂I.
In: Solids. Vol. 5 (2024) Issue 2 . - pp. 333-340.
ISSN 2673-6497
DOI: https://doi.org/10.3390/solids5020022

Official URL: Volltext

Abstract in another language

Here, we present the synthesis of a novel quaternary compound, iodide carbonate Na5(CO3)2I, at 18(1) and 25.1(5) GPa in laser-heated diamond anvil cells. Single-crystal synchrotron X-ray diffraction provides accurate structural data for Na5(CO3)2I and shows that the structure of the material can be described as built of INa8 square prisms, distorted NaO6 octahedra, and trigonal planar CO32− units. Decompression experiments show that the novel iodide carbonate is recoverable in the N2 atmosphere to ambient conditions. Our ab initio calculations agree well with the experimental structural data, provide the equation of state, and shed light on the chemical bonding and electronic properties of the new compound.

Further data

Item Type: Article in a journal
Refereed: Yes
Institutions of the University: Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences > Chair Crystallography
Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences > Professor Materials Physics and Technology at Extreme Conditions
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
Result of work at the UBT: Yes
DDC Subjects: 500 Science > 530 Physics
Date Deposited: 19 Jun 2024 10:43
Last Modified: 19 Jun 2024 10:43
URI: https://eref.uni-bayreuth.de/id/eprint/89791