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. 2021 Sep 16;77(Pt 5):772–784. doi: 10.1107/S2052520621008027

Table 2. Refined structure of γ-alumina.

Space group: I41/amd (#141, origin choice 2); unit-cell parameters: a = 0.5687 (1) nm, c = 0.7880 (2) nm; R factors: R wp = 0.20%, R wpb = 2.15%, R p = 0.15%

Atom Wyckoff site x y z Biso (Å2) Occupation
O 16h 0 0.0113 (4) 0.2646 (4) 1.0 1.000
Al 4a 0 0.75 0.125 0.3 0.486 (3)
Al 8c 0 0 0 0.3 0.263 (1)
Al 8d 0 0 0.5 0.3 0.611 (3)
Al 16g 0.25 0.5 0.875 0.3 0.109 (1)