x

Cation distribution

a_expt (Å)

a_calc (Å)

B_overall (Ų)

R-factors (%)

Tetrahedral (A) site

Octahedral (B) site

0.0

(Co_0.11Fe_0.89)_A

[Co_0.89Fe_1.11]_B

8.3599(5)

8.3638

0.70(4)

R_Bragg = 3.88

R_F = 2.85

c² = 2.26

0.2

(Co_0.05Fe_0.95)_A

[Ni_0.2Co_0.75Fe_1.05]_B

8.3445(6)

8.3482

0.75(4)

R_Bragg = 5.21

R_F = 3.72

c² = 2.91

0.4

(Co_0.03Fe_0.97)_A

[Ni_0.4Co_0.57Fe_1.03]_B

8.3349(5)

8.3388

0.76(4)

R_Bragg = 3.96

R_F = 2.58

c² = 2.89

0.6

(Co_0.02Fe_0.98)_A

[Ni_0.6Co_0.38Fe_1.02]_B

8.3256(5)

8.3251

0.59(4)

R_Bragg = 4.60

R_F = 3.03

c² = 2.43

0.8

(Ni_0.05Fe_0.95)_A

[Ni_0.75Co_0.2Fe_1.05]_B

8.3173(5)

8.3209

0.64(4)

R_Bragg = 3.69

R_F = 2.97

c² = 2.23

1.0

(Ni_0.37Fe_0.63)_A

[Ni_0.63Fe_1.37]_B

8.3075(5)

8.3040

0.62(4)

R_Bragg = 3.86

R_F = 3.08

c² = 2.53