These are data files supporting a published article. For the X-ray diffraction data, the filename format is: 01_[run number]_V[V1]_[V2]_[h],[k],[l].cbf The obverse peaks – the ones used to obtain the lattice constants and bond angles – are: (2,0,-4) (run 2); (3,-2,-7) (run 3); (2,0,2) (run 4); (3,-2,-1) (run 5); (2,-2,-5) (run 8); (2,-2,-2) (run 10); (0,-1,1) (run 12); (0,-1,-2) (run 14); (-2,0,1) (run 17); (-2,0,4) (run 19); (-1,-2,-2) (run 21)