Table 1 Single-crystal X-ray diffraction refinement on the two crystals of EuFe2As2: ‘crystal a’ (TN = 195 K), ‘crystal b’ (TN = 175 K).

From: Lattice disorder effect on magnetic ordering of iron arsenides

EuFe2As2 sample ID

‘crystal a’

‘crystal b’

a (Å)

3.9162 (3)

3.9238 (4)

c (Å)

12.104 (3)

12.105 (2)

As at (0, 0, z); 4e

z

0.36256 (13)

0.36255 (11)

Uiso

0.0104 (6)

0.0109 (6)

arsenic height, Å

1.3624 (10)

1.3624 (8)

site occupancy

0.96 (9)

0.97 (8)

Fe at (½, 0, ¼); 4d

Uiso

0.0106 (6)

0.0107 (6)

Fe‒Fe distance, Å

2.7692 (2)

2.7745 (3)

site occupancy

0.97 (9)

0.97 (8)