Homometric Structures

In chemistry and crystallography, structures of identical atoms that are characterized by the same set of interatomic distances are defined as homometric structures. Homometric crystal structures produce identical diffraction patterns; therefore, they cannot be distinguished by a diffraction experiment.

Recently, a Monte Carlo algorithm was proposed to calculate the number of homometric structures corresponding to any given set of interatomic distances.

  • Example of two homometric structures (top) formed by the convolution between two non-centrosymmetric structures (bottom) with different orientations.

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