Stacking faults and clays?

rowlesmr

Hi all

Does anyone know of anyone who has used stacking fault models to look at interstratified clays?

Matthew

rowlesmr

Just reading some BGMN papers.

.

In Topas, you can define sx, sy, sz as stacking fault vectors to displace each layer. Is there any way to refine a rotation of a layer about the stacking direction?

johnsoevans

Hi Matthew. I would have recommended the Kristian Ufer and related papers, but you've clearly found those! I don't think you can specify a rotation explicitly. You can, of course, define various rotated layers.

karsten

Hi,

if the layers can be considered isolated (ignoring the basal reflection) a single layer in a partially empty supercell may do the trick. I once did a refinement for smectite and it also works fine for nanocrystalline calcium silicate hydrates. https://doi.org/10.1107/S1600576721012668