Table 2.

Lattice parameters and selected ion content (in wt.%) in different types of calcium apatite models, compared to experimental results reported in literature.

	Theoretical Models					Experimental c
	OHAp a	Type A1	Type B	Type A–B	Type A–B	Bone	Dentin	Enamel
		Cap a	Na-COHAp b	Na-Cap b	Na-COHAp b
a (Å)	9.433	9.582	9.3982	9.4027	9.4493	9.41	9.421	9.441
b (Å)	9.433	9.764	9.3327	9.3707	9.4486	9.41	9.421	9.441
c (Å)	6.896	6.877	6.9071	6.9134	6.9028	6.89	6.887	6.88
α (°)	90	89.3	90.3	89.3	89.6	90	90	90
β (°)	90	89.8	90	90.7	90.2	90	90	90
γ (°)	120	121.9	120.6	120	120.3	120	120	120
V (Å3)	531.5	546	521.3	527.4	532.2	528.4	529.4	531.1
Ca2+	39.89	38.81	37.87	36.79	39.07	34.8	35.1	36.5
P	18.05	18.05	16.26	15.84	17.86	15.2	16.9	17.7
CO32-	−	5.82	6.3	12.26	3.01	7.4	5.6	3.5
Na+	−	−	2.41	2.35	0.58	0.9	0.6	0.5

^a–Ref. [61]; ^b–Ref. [62]; ^c–Refs. [6,8,73].