Unit cell parameters (this work)

Rietveld-analysis geometrical optimization

a(Å)

c(Å)

V(ų)

c/a

3.2467

5.2151

47.61

1.6063

3.28223712

5.27346980

49.20

1.6066

Site Wyckoff Position

x

y

z

x

y

z

Zn

O

2b

2b

1/3

1/3

2/3

2/3

0 0.33

0.38224

−0.33

0.33

0.0653

−0.33

0.31538