Structure of the mixed-metal carbonate KAgCO3 revisited: order–disorder (OD) polytypism and allotwinning

Hans, P.; Stöger, B.; Weil, M.; Zobetz, E.

doi:10.1107/S2052520615004138

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

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Figure 6
Estimation of the volume fraction $[\alpha_{\rm calc}]$ of MDO₁ in simulated datasets of MDO₁/MDO₂ allotwins plotted against the actual volume fraction $[\alpha_{\rm act}]$ . The estimates were determined by disorder models refined using only reflections of MDO₁ (`+' symbol) or MDO₂ (`×' symbol). Black symbols represent uncorrected values ( $[\alpha_1 = |2O-1|]$ and $[\alpha_2 = 1-|2O-1|]$ ); red symbols values corrected for the erroneous assumption of a disordered structure ( $[\alpha_1^2]$ and $[1-(1-\alpha_2)^2]$ ). The $[\alpha_{\rm calc} = \alpha_{\rm act}]$ line is indicated as a visual guide. Error bars are smaller than the symbol size.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 71| Part 2| March 2015| Pages 194-202

doi:10.1107/S2052520615004138

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