A description of the tilt of octahedra in ABX(3) perovskite-related structures is proposed that can be used to extract the unique values for the tilt parameters varphi, theta and delta of ABX(3) structures with regular and distorted octahedra up to the point symmetry \bar 1, from atomic coordinates and lattice parameters. The geometry of the BX(6) octahedron is described by three B-X bond lengths (r(1), r(2), r(3)) and three X-B-X bond angles (psi(12), psi(13) and psi(23)) or alternatively by a local strain tensor together with an average B-X bond length. Connections between the proposed method and Glazer's tilt system are discussed. The method is used to analyze structural transformations of I2/c, Pbnm and Immm structures. The proposed description allows the analysis of group-subgroup relations for the ABX(3) structures with distorted octahedra, in terms of octahedral deformations and tilting. The method might also be of interest in the study of the phase transitions in the family of ABX(3) structures.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1107/S010876810605244X | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
A reliable, colloidal synthesis method of the orthorhombic chalcogenide perovskite, BaZrS, and related ABS nanomaterials (A = Sr, Ba; B = Ti, Zr, Hf): a step forward for earth-abundant, functional materials.
Chem Sci
January 2025
Davidson School of Chemical Engineering, Purdue University West Lafayette IN 47907 USA
Recently, chalcogenide perovskites, of the form ABX, where typically A = alkaline earth metals Ca, Sr, or Ba; B = group IV transition metals Zr or Hf; and X = chalcogens S or Se, have become of interest for their potential optoelectronic properties. In this work, we build upon recent studies and show a general synthesis protocol, involving the use of carbon disulfide insertion chemistry, to generate highly reactive precursors that can be used towards the colloidal synthesis of numerous ABS nanomaterials, including BaTiS, BaZrS, BaHfS, α-SrZrS and α-SrHfS. We overcome the shortcomings in the current literature where BaZrS nanoparticles are synthesized in separate phases colloidal methods and lack a reproducible protocol for orthorhombic perovskite nanoparticles.
View Article and Find Full Text PDFSurface modification unleashes light emitting applications of APbX perovskite nanocrystals.
Chem Commun (Camb)
January 2025
Assam Energy Institute, Sivasagar, a Centre of Rajiv Gandhi Institute of Petroleum Technology, Assam 785697, India.
Engineering the surface of metal halide perovskite nanocrystals (MHPNCs) is crucial for optimizing their optical properties, repairing surface defects, enhancing quantum yield, and ensuring long-term stability. These enhancements make surface-engineered MHPNCs ideal for applications in light-emitting devices (LEDs), displays, lasers, and photodetectors, contributing to energy efficiency. This article delves into an introduction to MHPNCs, their structure and types, particularly the ABX type (where A represents monovalent organic/inorganic cations, B represents divalent metal ions mainly Pb metal, and X represents halide ions), synthesis methods, unique optical properties, surface modification techniques using various agents (particularly inorganic molecules/materials, organic molecules, polymers, and biomolecules) to tune optical properties and applications in the aforementioned light-emitting technologies, challenges and opportunities, including advantages and disadvantages of surface-modified APbX MHPNCs, and a summary and future outlook.
View Article and Find Full Text PDFA New High-Pressure High-Temperature Phase of Silver Antimonate AgSbO with Strong Ag-O Hybridization.
Inorg Chem
November 2024
Max Planck Institute for Solid State Research, Heisenbergstrasse 1, 70569 Stuttgart, Germany.
We report on a new polymorph of silver antimonate AgSbO discovered with the use of high-pressure high-temperature synthesis at 16 GPa and 1380 °C. The crystal structure is determined from X-ray powder diffraction, and we find this new high-pressure phase crystallizes in monoclinic space group 2/ with the following values: = 8.4570(3) Å, = 9.
View Article and Find Full Text PDFStructure and Magnetic Properties of the = 3 Ruddlesden-Popper Oxyfluoride LaSrFeOF.
Inorg Chem
October 2024
Martin-Luther-University Halle-Wittenberg, Department of Chemistry, Inorganic Chemistry, Kurt-Mothes-Straße 2, D-06120 Halle, Germany.
Ruddlesden-Popper (RP) compounds of the general formula (AX)(ABX) with their unique sequence of perovskite-like (ABX) and rock-salt-like units (AX) promise applications in diverse fields such as catalysis and superconductivity. Fluorination of RP oxides often leads to dramatic changes in the material properties, caused by differences in the atomic and electronic structure. While current research focuses on fluorination of = 1 type RP oxides (ABO), = 3 RP oxyfluorides have remained elusive.
View Article and Find Full Text PDFThe wondrous world of ABX molecular perovskites.
Chem Commun (Camb)
October 2024
Department of Chemistry, TUM School of Natural Sciences, Technical University of Munich, Lichtenbergstraße 4, 85748 Garching, Germany.
The substitution of atoms with molecular building blocks to form hybrid organic-inorganic networks has been an important research theme for several decades. ABX molecular perovskites (MolPs) are a subclass of hybrid networks, adopting the perovskite structure with cationic and anionic molecules on the A-site and X-site. MolPs such as ((CH)NH)Zn(HCOO) or ((-CH)N)Mn(CN) show a range of fascinating structure-chemical properties, including temperature-driven phase transitions that include a change of polarity as interesting for ferroelectrics, pressure-driven order-disorder phase transitions as interesting for barocaloric solid-state refrigeration, and most recently, melting-behaviour before decomposition with subsequent glass formation after cooling.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!