Vibrational Spectroscopy of Binary Titanium Borides: First-Principles and Experimental Studies

Table 2

Interatomic distances (in Å) for titanium borides.

Compound	B–B	Ti–B	Ti–Ti
TiB	1.81	2.35	2.87
TiB2	1.75	2.38	3.03
Ti3B4	1.77 (B2–B2)	2.33 (Ti2–B2)	2.84 (Ti2–Ti2)
	1.78 (B1–B1)	2.35 (Ti2–B1)	2.97 (Ti1–Ti2)
	3.04 (B1–B2)	2.40 (Ti1–B2)	3.04 (Ti1–Ti1)
		2.43 (Ti1–B1)