CTO (x = 0.0)

CRFO (x = 1.0)

Crystal system

Orthorombic

Trigonal

Cell parameters

a = 5.3831 Å

a = 5.0171 Å

b = 5.4366 Å

b = 5.0171 Å

c = 7.6404 Å

c = 13.6432 Å

a = 90˚

a = 90˚

b = 90˚

b = 90˚

g = 90˚

g = 120˚

Cell volume

223.6

297.41

Space group

Pbnm (62)

R3cH (167)

Rp (%)

12.87

8.14

R_WP (%)

17.34

11.04

S_Gof

1.12

1.37

d_DW

1.39

0.71

Database code ICSD

163,528

163,943

Reference

[9]

[7]

r_th (g∙cm⁻³)

4.044

5.254

r_pic (g∙cm⁻³)

3.770

5.130

r_rel (%)

93.2

97.3