Table 3 Calculated and measured38,39,40 lattice parameters of FeO, TiO2, and Na2O containing crystal phases.

From: Estimation of TiO2-FeO-Na2O slag viscosity through molecular dynamics simulations for an energy efficient ilmenite smelting process

Crystal

 

a (Å)

b (Å)

c (Å)

α (degree)

β (degree)

γ (degree)

Rutile

(TiO2)

Measured38

4.5937

4.5937

2.9587

90.0

90.0

90.0

Calculated

4.6651

4.6651

3.0047

90.0

90.0

90.0

Ilmenite

(FeTiO3)

Measured39

5.09

5.09

14.09

90.0

90.0

120.0

Calculated

5.25

5.25

14.52

90.0

90.0

120.0

Freudenbergite

(Na(Ti3Fe)O8)

Measured40

12.27

3.82

6.48

90.0

107.16

90.0

Calculated

12.71

3.96

6.72

90.0

107.16

90.0