Identifying and characterizing translationally modulated molecular crystal structures

Brock, C.P.; Taylor, R.

doi:10.1107/S2052520620007891

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 3
A layer (001) of the structure NAHCOQ (Mukhopadhyay et al., 2010

). The three shortest pseudotranslations ( $[[3{\bar 1}0]/6]$ , [010]/3 and $[[1{\bar 1}0]/2]$ ) are shown; only two of them are independent. The P2₁/c, Z′ = 6 structure seems to be derived from a C2/c, Z′ = 1 basic cell (shown as dashed) by a threefold lengthening of the axis b. That modulation is accompanied by the loss of the exact twofold axes (shown in blue) and of the centering, which becomes the pseudotranslation [110]/2 (or, $[[1{\bar 1} 0]/2]$ = [100] − [110]/2).

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 76| Part 4| August 2020| Pages 630-642

https://doi.org/10.1107/S2052520620007891

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