Average structures of the disordered β-phase of Pigment Red 170: a single-crystal X-ray diffraction study

Warshamanage, R.; Linden, A.; Schmidt, M.U.; Bürgi, H.-B.

doi:10.1107/S2052520614000407

Figure 10
Projection of molecular layers at x = 0 (ordered, black) and $[ 1\over 4]$ (disordered, magenta and violet) down a in model 2. (a) The arrangement of the major component of the layer at x = $[ 1\over 4]$ (magenta) with respect to the ordered layer. The two layers are related to each other by non-crystallographic inversion centres at ( $[ 1\over 8]$ , $[ 1\over 4]$ −0.039, $[ 1\over 8]$ ); ( $[ 1\over 8]$ , $[ 1\over 4]$ −0.039, $[ 5\over 8]$ ); ( $[ 1\over 8]$ , $[ 3\over 4]$ −0.039, $[ 1\over 8]$ ); ( $[ 1\over 8]$ , $[ 3\over 4]$ −0.039, $[ 5\over 8]$ ) and non-crystallographic g-glide planes at y = 0–0.039 and ½ − 0.039. (b) Non-crystallographic inversion centres at ( $[ 1\over 8]$ , $[ 1\over 4]$ + 0.039, $[ 1\over 8]$ ); ( $[ 1\over 8]$ , $[ 1\over 4]$ + 0.039, $[ 5\over 8]$ ); ( $[ 1\over 8]$ , $[ 3\over 4]$ + 0.039, $[ 1\over 8]$ ); ( $[ 1\over 8]$ , $[ 3\over 4]$ + 0.039, $[ 5\over 8]$ ) and non-crystallographic g-glide planes at y = 0 + 0.039 and ½ + 0.039 relate the minor component (violet) of the layer at x = $[ 1\over 4]$ to the ordered layer at x = 0. The crystallographic 2₁ axes located in both major and minor layers at x = $[ 1\over 4]$ are shown, while black dashed lines running parallel to the c axis at y = $[ 1\over 4]$ and $[ 3\over 4]$ indicate crystallographic a-glide planes.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 70| Part 2| March 2014| Pages 283-295

doi:10.1107/S2052520614000407

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