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X-ray Crystallography02:18

X-ray Crystallography

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The size of the unit cell and the arrangement of atoms in a crystal may be determined from measurements of the diffraction of X-rays by the crystal, termed X-ray crystallography.
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...
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Lattice Centering and Coordination Number02:33

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The structure of a crystalline solid, whether a metal or not, is best described by considering its simplest repeating unit, which is referred to as its unit cell. The unit cell consists of lattice points that represent the locations of atoms or ions. The entire structure then consists of this unit cell repeating in three dimensions. The three different types of unit cells present in the cubic lattice are illustrated in Figure 1.
Types of Unit Cells
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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.
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Structures of Solids

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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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Metallic Solids02:37

Metallic Solids

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Metallic solids such as crystals of copper, aluminum, and iron are formed by metal atoms. The structure of metallic crystals is often described as a uniform distribution of atomic nuclei within a “sea” of delocalized electrons. The atoms within such a metallic solid are held together by a unique force known as metallic bonding that gives rise to many useful and varied bulk properties.
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X-ray diffraction or XRD is an analytical tool that utilizes X-rays to study ordered structures such as crystalline organic and inorganic samples, polycrystalline materials, proteins, carbohydrates, and drugs.
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Updated: Jun 22, 2025

Growth and Electrostatic/chemical Properties of Metal/LaAlO3/SrTiO3 Heterostructures
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Growth and Electrostatic/chemical Properties of Metal/LaAlO3/SrTiO3 Heterostructures

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Multiscale structure of LaAlO3 from single-crystal X-ray diffraction.

Takashi Nishioka1, Mibuki Hayashi1, Hidetaka Kasai1

  • 1Department of Physics, Institute of Pure and Applied Sciences and Tsukuba Research Center for Energy Materials Science (TREMS), University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8571, Japan.

Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|June 28, 2024
PubMed
Summary

Domain wall movement in lanthanum aluminate (LaAlO3) crystals was observed between 450-700 K using synchrotron X-ray diffraction. This study provides insights into LaAlO3 domain engineering and theoretical studies.

Keywords:
multiscale structureperovskite oxidessingle-crystal X-ray diffractiontwin

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Atomically Defined Templates for Epitaxial Growth of Complex Oxide Thin Films
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Area of Science:

  • Materials Science
  • Crystallography
  • Solid State Physics

Background:

  • Lanthanum aluminate (LaAlO3) exhibits complex domain structures crucial for its properties.
  • Understanding domain wall behavior is key for materials engineering and device applications.

Purpose of the Study:

  • To investigate the temperature-dependent domain behavior in LaAlO3 pseudo-merohedral twin crystals.
  • To establish a method for calibrating unit-cell parameters from twin crystal data.
  • To determine multiscale structural information from a single crystal.

Main Methods:

  • Synchrotron single-crystal X-ray diffraction (XRD) on a LaAlO3 pseudo-merohedral twin crystal.
  • Combined analysis with powder XRD data from the same sample.
  • Domain-resolved structure analysis and unit-cell parameter calibration.

Main Results:

  • Domain wall movement was observed in the temperature range of 450–700 K, consistent with mechanical measurements.
  • Domain ratios approached equal distribution (25%) just below the phase transition temperature.
  • The domain structure after heating to 840 K was found to be intrinsic to the crystal.

Conclusions:

  • The study successfully determined multiscale structure information from a single LaAlO3 crystal.
  • A novel method for unit-cell parameter calibration from twin crystal data was developed.
  • Findings are significant for domain engineering and theoretical studies of LaAlO3.