Research/Sitter/MAGNDATA / 1.3_Sr2IrO4.mcif

Sr₂IrO₄

MAGNDATA entry 1.3 · source

antiferromagnet

No net magnetisation, and up and down sublattices are related by a shift or by inversion, so the bands stay spin-degenerate: a conventional antiferromagnet.

Spin group ¹m¹m¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 240 K (−33 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P_I c c a BNS 54.352
Point group	mmm1′
Parent space group	I 4₁/a c d No. 142
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1 1 1] 1k
Cell	a 5.4916 · b 5.4916 · c 25.797 Å · α 90° · β 90° · γ 90°
Transition	240 K (−33 °C)
Measured at	1.6 K
Magnetic ions	Ir
Largest moment component	0.24 μ_B
Method	other reference: PHYSICAL REVIEW B 87, 140406(R) (2013)

Symmetry

Stereogram of the magnetic point group: each operation applied to one direction. Filled = upper hemisphere, ring = lower; red operations include time reversal. Lines are mirrors; polygons are 2/3/4/6-fold axes; the centre ring is inversion.

Every structure in P_I c c a →

Atom sites · 6 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ir1	Ir	0	0.25	0.375	−0.24	0	0	0.24
Sr1	Sr	0	0.25	0.5506
Sr1_1	Sr	0	0.75	0.8006
O1	O	0	0.25	0.4547
O1_1	O	0	0.75	0.7047
O2	O	0.2001	0.4501	0.125

Moment components are along the crystal axes a, b, c (μ_B), as magCIF writes them. Symmetry generates the rest of the cell from these sites.

Source

S.W. Lovesey et al. J. Phys.: Condens. Matter (2012) · doi:10.1088/0953-8984/24/49/496003

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.3_Sr2IrO4.mcif from MAGNDATA · entry page

sha256 of this copy: 87f99bd985ecb01d8fe268e32b798d42f23df036f6acc661a10b77524aa2da25
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.3_Sr2IrO4.mcif.