. 2015 Apr 7;6(6):3483–3494. doi: 10.1039/c5sc00621j

Table 1. Models for anatase–rutile phase junction, the computed strain energy and the interfacial energies γ_int (J m^–2). The phase junction is constructed by joining two phases (P1 and P2) according to the orientation relation (OR) ^a .

OR	P1		P2		S	γ _int
OR	a (Å)	b (Å)	a (Å)	b (Å)	S	γ _int
Direct Model
I	5.38	5.54	5.51	4.65	2.37	0.58
II	5.51	5.51	5.34	3.81	3.83	0.88 ^b
III	5.34	3.81	4.65	4.65	2.49	—
IV	9.68	3.81	6.57	2.97	3.81	—

Indirect Model
V	5.51	4.65	5.59	4.60	2.01	0.01
VI	5.59	4.95	5.38	5.54	2.18	0.11
VII	5.59	6.76	5.38	5.54	2.57	—
VIII	5.38	5.54	5.59	4.60	2.35	—

^aThe OR includes a pair of parallel crystallography planes (hkl)_P1//(hkl)_P2 that are attached to each other (with lattice parameters a and b) and a pair of parallel directions [uvw]_P1//[uvw]_P2. Here OR are as follows. I: (112)_A//(101)_R, [110]_A//[101]_R; II: (111)_R//(101)_A, [011]_R//[010]_A; III: (101)_A//(001)_R, [010]_A//[010]_R; IV: (100)_A//(110)_R, [001]_A//[110]_R; V: (101)_R//(001)_II, [101]_R//[100]_II; VI: (100)_II//(112)_A, [010]_II//[110]_A; VII: (101)_II//(112)_A, [101]_II//[110]_A; VIII: (112)_A//(001)_II, [110]_A//[100]_II.

^bFrom ref. 35.

Table 1. Models for anatase–rutile phase junction, the computed strain energy and the interfacial energies γint (J m–2). The phase junction is constructed by joining two phases (P1 and P2) according to the orientation relation (OR) a .

Table 1. Models for anatase–rutile phase junction, the computed strain energy and the interfacial energies γ_int (J m^–2). The phase junction is constructed by joining two phases (P1 and P2) according to the orientation relation (OR) ^a .