Fig 2; Fig 3; Fig 4; Fig A1; Fig A3 - Patterns were corrected for sample height shift by calibrating to the most intense quartz reflection (101) at 26.6 °(2θ).

Fig 3 - Le Bail extractions and Rietveld refinements of the structure were performed using JANA 2006 to extract the background signal.

Fig 11; Fig A6 - Corrections were made for ATR and background using Perkin-Elmer Spectrum software.