Publication

The incommensurate structure of K3In(PO4)(2)

Gervais Chapuis
2003
Journal Articles

Abstract

The incommensurately modulated structure of K3In(PO4)(2) has been solved and refined. The origin of the modulation relates to the ordering of K cations within the hexagonal close packing of the PO4 anions. The driving forces for the modulation of the other cations are In-P and K-P interactions. The modulation of O atoms of rigid PO4 units follows the cations in order to stabilize the InO6 octahedron. It is shown that the previously published three-dimensional structure rerned from powder diffraction data obtained at room temperature is an average structure. Therefore the incommensurately modulated phase of K3In(PO4)(2) is the only one that has been unequivocally identired at room temperature. The origin of the modulation is discussed in comparison with the structures of Na3InP2, alpha- and beta-Na3In(PO4)(2), Na3Fe(PO4)(2) and Rb3In(PO4)(2).

Official source

https://infoscience.epfl.ch/entities/publication/c2aa6856-cfe1-452b-98bd-64877280bb1b

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Gervais Chapuis
2003
Journal Articles

Abstract

Official source

https://infoscience.epfl.ch/entities/publication/c2aa6856-cfe1-452b-98bd-64877280bb1b

About this result

Related concepts (20)

Powder diffraction

Powder diffraction is a scientific technique using X-ray, neutron, or electron diffraction on powder or microcrystalline samples for structural characterization of materials. An instrument dedicated to performing such powder measurements is called a powder diffractometer. Powder diffraction stands in contrast to single crystal diffraction techniques, which work best with a single, well-ordered crystal. Diffraction grating The most common type of powder diffraction is with x-rays, the focus of this article although some aspects of neutron powder diffraction are mentioned.

Neutron diffraction

Neutron diffraction or elastic neutron scattering is the application of neutron scattering to the determination of the atomic and/or magnetic structure of a material. A sample to be examined is placed in a beam of thermal or cold neutrons to obtain a diffraction pattern that provides information of the structure of the material. The technique is similar to X-ray diffraction but due to their different scattering properties, neutrons and X-rays provide complementary information: X-Rays are suited for superficial analysis, strong x-rays from synchrotron radiation are suited for shallow depths or thin specimens, while neutrons having high penetration depth are suited for bulk samples.

Crystallographic database

A crystallographic database is a database specifically designed to store information about the structure of molecules and crystals. Crystals are solids having, in all three dimensions of space, a regularly repeating arrangement of atoms, ions, or molecules. They are characterized by symmetry, morphology, and directionally dependent physical properties. A crystal structure describes the arrangement of atoms, ions, or molecules in a crystal.

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The incommensurate structure of K3In(PO4)(2)

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