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Related Concept Videos

Structures of Solids02:22

Structures of Solids

14.1K
Solids in which the atoms, ions, or molecules are arranged in a definite repeating pattern are known as crystalline solids. Metals and ionic compounds typically form ordered, crystalline solids. A crystalline solid has a precise melting temperature because each atom or molecule of the same type is held in place with the same forces or energy. Amorphous solids or non-crystalline solids (or, sometimes, glasses) which lack an ordered internal structure and are randomly arranged. Substances that...
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Ionic Crystal Structures02:42

Ionic Crystal Structures

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Ionic crystals consist of two or more different kinds of ions that usually have different sizes. The packing of these ions into a crystal structure is more complex than the packing of metal atoms that are the same size.
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
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Tetrahedral Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
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Influence of Hybrid Perovskite Fabrication Methods on Film Formation, Electronic Structure, and Solar Cell Performance
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Influence of Hybrid Perovskite Fabrication Methods on Film Formation, Electronic Structure, and Solar Cell Performance

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Superstructure reflections in tilted perovskites.

Richard Beanland1, Robin Sjökvist1

  • 1Department of Physics, University of Warwick, Coventry CV4 7AL, UK.

Acta Crystallographica. Section A, Foundations and Advances
|July 26, 2024
PubMed
Summary
This summary is machine-generated.

Superstructure reflections in tilted perovskites can be predicted using a novel method based on distortion modes. This approach simplifies the analysis of electron diffraction patterns for perovskite materials.

Keywords:
electron diffractionoctahedral tiltingperovskitesstructure factors

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Area of Science:

  • Crystallography
  • Materials Science
  • Solid-State Chemistry

Background:

  • Superstructure reflections in tilted perovskites are observable in diffraction patterns.
  • These reflections are typically calculated using crystallographic software.

Purpose of the Study:

  • To present a new method for predicting superstructure reflections in perovskites.
  • To demonstrate how distortion modes can be used to derive conditions for superstructure reflection presence.

Main Methods:

  • Modeling perovskite structure distortion as a perturbation of the prototype structure.
  • Utilizing the structure-factor equation to derive Boolean conditions.

Main Results:

  • The structure-factor equation, when applied to distorted perovskites, yields Boolean conditions for superstructure reflections.
  • This method provides a direct link between distortion modes and the presence of specific reflections.

Conclusions:

  • The proposed method offers a potentially advantageous approach for analyzing electron diffraction patterns of perovskites.
  • This crystallographic approach simplifies the prediction and understanding of superstructure reflections.