Crystallographic Analysis and Structural Features of Honeycomb Cation Frameworks in Na2FePO4F, NaFePO4, and LiVOPO4 Structures

• Published in: Journal of structural chemistry Vol. 64; no. 7; pp. 1283 - 1295
• Main Authors: Borisov, S. V., Pervukhina, N. V., Magarill, S. A.
• Format: Journal Article
• Language: English
• Published: Moscow Pleiades Publishing 01-07-2023; Springer Nature B.V
• Subjects: Atomic; Atomic/Molecular Structure and Spectra; Cations; Chemistry; Chemistry and Materials Science; Configurations; Crystallography; Honeycomb construction; Inorganic Chemistry; Molecular; Optical and Plasma Physics; Physical Chemistry; Solid State Physics; Structural stability; honeycomb cation frameworks; crystallographic analysis; skeletal sublattices; pseudosymmetry
• ISSN: 0022-4766; 1573-8779
• DOI: 10.1134/S0022476623070120

The crystallographic analysis of the structures of compounds Na
2
FePO
4
F (
I
), NaFePO
4
(
II
), and LiVOPO
4
(
III
) reveals that there are vacant channels in “honeycomb” constructions of their cation frameworks. In these structures, the stability is based on a sequence of embedded (according to the “matryoshka” principle) pseudosymmetry-related pseudo-hexagonal configurations. Ordering of cation positions creates their configuration approaching highly symmetrical sublattices that are close in geometry to face-centered (
F
cube
) and body-centered (
I
cube
) cubic sublattices. The equivalent positions are occupied by different atoms and vacancies.