Spectral Simulations. Al, Ga, and Ga MAS and static solid-state NMR spectra were simulated with second-order perturbation theory in the Solid Lineshape Analysis (SOLA) Ab Initio Calculations. Chemical shielding and electric field gradient calculations were performed with the gauge-including projector augmented-wave (GIPAW) approach in the planewave pseudopotential code CASTEP. The calculations used the Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional and Vanderbilt ultrasoft pseudopotentials with the default Koelling-Harmon scalar relativistic treatment. LiIn 2 SbO 6 , BiAlTeO 6 , and BiGaTeO 6 crystal structures were used as starting models. Prior to the NMR calculations, atomic positions and lattice were optimized until the force on any atom was smaller than 1 meV Å -1 . All calculations used a planewave energy cutoff energy of 700 eV and a Monkhorst-Pack 81 grid with a spacing finer than 2π × 0.03 Å -1 to sample the Brillouin zone. Anisotropic NMR parameters were used as the starting point to fit the experimental spectra.