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. 2019 Jan 1;75(Pt 1):115-120.
doi: 10.1107/S2053273318015413. Epub 2019 Jan 1.

Selling reduction versus Niggli reduction for crystallographic lattices

Lawrence C Andrews  1 , Herbert J Bernstein  2 , Nicholas K Sauter  3
Affiliations

Selling reduction versus Niggli reduction for crystallographic lattices

Lawrence C Andrews et al. Acta Crystallogr A Found Adv. .

Abstract

The unit-cell reduction described by Selling and used by Delone (whose early publications were under the spelling Delaunay) is explained in a simple form. The transformations needed to implement the reduction are listed. The simplicity of this reduction contrasts with the complexity of Niggli reduction.

Keywords: Delaunay; Delone; Niggli; Selling; unit-cell reduction.

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Figures

Figure 1
Figure 1
Reduction timing for 89539 unit cells taken from the Protein Data Bank (milliseconds). The times given are for primitive cells.
See this image and copyright information in PMC

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