. 2020 Feb 24;59(6):3805–3816. doi: 10.1021/acs.inorgchem.9b03459

Table 5. Relative Occupation of Tetrahedral and Octahedral Sites in β-Ga_2–xAl_xO₃ as Determined from the Average of the Values from Rietveld Refinement and ²⁷Al MAS NMR Spectra and Overall Formulas Derived from Them.

x	Al^IV (%)	Al^VI (%)	formula
0.0	–	–	β-(Ga_1.0)^tet[Ga_1.0]^octO₃
0.2	32.8	67.2	β-(Ga_0.934Al_0.066)^tet[Ga_0.866Al_0.134]^octO₃
0.4	34.3	65.7	β-(Ga_0.863Al_0.137)^tet[Ga_0.737Al_0.263]^octO₃
0.6	334.6	65.4	β-(Ga_0.792Al_0.208)^tet[Ga_0.608Al_0.392]^octO₃
0.8	36.6	63.4	β-(Ga_0.708Al_0.292)^tet[Ga_0.492Al_0.508]^octO₃
1.0	37.6	62.4	β-(Ga_0.624Al_0.376)^tet[Ga_0.376Al_0.624]^octO₃
1.2	40.9	59.1	β-(Ga_0.509Al_0.491)^tet[Ga_0.291Al_0.709]^octO₃
1.3	41.0	59.0	β-(Ga_0.466Al_0.534)^tet[Ga_0.234Al_0.766]^octO₃

Table 5. Relative Occupation of Tetrahedral and Octahedral Sites in β-Ga2–xAlxO3 as Determined from the Average of the Values from Rietveld Refinement and 27Al MAS NMR Spectra and Overall Formulas Derived from Them.