Simulation of diffraction patterns for Ruddlesden–Popper (RP) tetragonal structures with RP faults

A theoretical analysis of diffraction patterns was performed for two representatives of layered perovskite‐type tetragonal phases of the Ruddlesden–Popper series (RP) with the general formula An+1BnO3n+1 (n = 1, 2), which contain RP faults (layer alternation defects) in a wide range of concentration...

Full description

Saved in:
Bibliographic Details
Published in:Journal of applied crystallography 2024-10, Vol.57 (5), p.1578-1587
Main Authors: Gorkusha, A. S., Cherepanova, S. V., Tsybulya, S. V.
Format: Article
Language:English
Subjects:
Diffraction patterns
Perovskites
Ruddlesden–Popper faults
Ruddlesden–Popper structures
Stoichiometry
Theoretical analysis
X‐ray powder diffraction
Citations: Items that this one cites
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:A theoretical analysis of diffraction patterns was performed for two representatives of layered perovskite‐type tetragonal phases of the Ruddlesden–Popper series (RP) with the general formula An+1BnO3n+1 (n = 1, 2), which contain RP faults (layer alternation defects) in a wide range of concentrations. The results of theoretical calculations can be used in the future for correct interpretation of X‐ray powder diffraction experimental data and for quantitative estimation of the deviation from stoichiometry and structural perfection of this type of compound. A theoretical analysis of diffraction patterns is presented for two representatives of layered perovskite‐type tetragonal phases of the Ruddlesden–Popper (RP) series, containing RP faults in a wide range of concentrations.
ISSN:1600-5767
0021-8898
1600-5767
DOI:10.1107/S1600576724008203