Issue 28, 2023

Na3(VO)(PO4)(CO3): a synthetic member of the bradleyite phosphate carbonate family with a new type of crystal structure

Abstract

The synthesis and characterization of a (VO)2+ representative in the bradleyite family of compounds is reported. The new trisodium vanadyl phosphate carbonate was investigated using scanning electron microscopy, microprobe analysis, low temperature X-ray diffraction, and theoretical calculations of possible pathways of Na migration through the framework. Its crystal structure is assembled from strongly distorted VO6 octahedra, PO4 tetrahedra, and triangular CO3 groups linked into one-periodic ribbons parallel to the b axis of a monoclinic unit cell. Na atoms occupy positions between these ribbons and connect them into a framework. It is shown that the formal exchange of Fe2+ or Mn2+ for (VO)2+ ions leads to the bonshtedtite and sidorenkite crystal structure transformation from layered to chain ones. The character of the Na atom distribution in the structure allows considering Na3(VO)(PO4)(CO3) as a potential electrochemically active material.

Graphical abstract: Na3(VO)(PO4)(CO3): a synthetic member of the bradleyite phosphate carbonate family with a new type of crystal structure

Supplementary files

Article information

Article type
Paper
Submitted
04 Apr 2023
Accepted
09 Jun 2023
First published
12 Jun 2023

CrystEngComm, 2023,25, 4024-4032

Na3(VO)(PO4)(CO3): a synthetic member of the bradleyite phosphate carbonate family with a new type of crystal structure

O. Yakubovich, G. Kiriukhina, S. Simonov, A. Volkov and O. Dimitrova, CrystEngComm, 2023, 25, 4024 DOI: 10.1039/D3CE00323J

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