Modulated anharmonic ADPs are intrinsic to aperiodic crystals: a case study on incommensurate Rb2ZnCl4

Li, L.; Wölfel, A.; Schönleber, A.; Mondal, S.; Schreurs, A.M.M.; Kroon-Batenburg, L.M.J.; van Smaalen, S.

doi:10.1107/S0108768111013814

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

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Figure 4
(x_s1, x_s4)-section of the generalized electron density $[\rho_{\rm s}^{\rm MEM}({\bf x}_{\rm s})]$ at the position of Rb2 (x₁ = 0.25, x₂ = 0.819 and x₃ = 0.487). The contour interval is 10% of the maximum electron density of 175.1 e Å^-3. The thick (red) line is the modulated position of the Rb2 atom in model D_r.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 67| Part 3| May 2011| Pages 205-217

doi:10.1107/S0108768111013814

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