Table 5.

Atom position in θ-Al₂O₃, α-Al₂O₃, m-ZrO₂, and t-ZrO₂ based on Rietveld refinement.

Phase: θ-Al2O3, C 2/m				Phase: m-ZrO2, P 21/c
Atom Position	x	y	z	Atom Position	x	y	z
Al1:Al3+	0.10130	0.00000	0.79440	Zr:Zr4+	0.27605	0.03987	0.20927
Al2:Al3+	0.35230	0.00000	0.68740	O1:O2−	0.06633	0.33052	0.34468
O1:O2−	0.16270	0.00000	0.12280	O2:O2−	0.45232	0.75875	0.47537
O2:O2−	0.48950	0.00000	0.26130
O3:O2−	0.82990	0.00000	0.43860
Phase: α-Al2O3, 167	x	y	z	Phase: t-ZrO2, P 42/nmc	x	y	z
Al:Al3+	0.00000	0.00000	0.35230	Zr:Zr4+	0.75000	0.25000	0.75000
O:O2−	0.30640	0.00000	0.25000	O:O2−	0.25000	0.25000	0.55000