Table 1 Structural parameters and atomic positions for SmCrO3 system at room temperature.

From: Local inhomogeneous state in multiferroic SmCrO3

SG:Pnma

a (Å) 5.4970(4)

b (Å) 7.6439(5)

c (Å) 5.3675(2)

Uiso(Å2)

Occ

Atom

x

y

z

Sm: 4c(x, 0.25, z)

0.0543

0.2500

 − 0.0135

0.577

0.549

Cr: 4b(0, 0, 0.5)

0

0

0.5

0.567

0.576

O(1): 4c(x, 0.25, z)

0.4816

0.25

0.0923

0.790

0.700

O(2): 8d(x, y, z)

0.2909

0.0451

 − 0.2964

1.449

1.849

Cr-O1-Cr = 146.9°

Rwp = 11.1

Rp = 8.38

Rexp = 9.07

χ2 = 1.65

 
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