Sample names:

* pristine - grinded single crystal (#4 in Fig. 1 of the manuscript)
* powder - non-ground polycrystalline sample (#1 in Fig. 1 of the manuscript)
* grinded1 - 3 min grinding (#3 in Fig. 1 of the manuscript)
* grinded2 - 30 sec grinding (#2 in Fig. 1 of the manuscript)

The lattice parameters shown in Fig. 1a,b are accumulated from two runs performed on #1 and #2

The ADP's shown in Fig. 1c are from the run performed on #2, because #1 had a too strong preferred orientation for a reliable structure refinement