Research/Sitter/MAGNDATA / 1.10_Na2IrO3.mcif

Na₂IrO₃

MAGNDATA entry 1.10 · 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 ¹2/¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 18.1 K (−255 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	C_c 2/m BNS 12.63
Point group	2/m1′
Parent space group	C 2/m No. 12
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 1 1/2] 1k
Cell	a 5.319 · b 9.215 · c 11.072 Å · α 90° · β 108.67° · γ 90°
Transition	18.1 K (−255 °C)
Magnetic ions	Ir
Largest moment component	0.22 μ_B
Method	NSD

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 C_c 2/m →

Atom sites · 8 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ir1	Ir	0	0.3332	0	0.22	0	0	0.22
Na4	Na	0	0.3332	0
Na1	Na	0	0	0
Ir2	Ir	0	0	0
Na2	Na	0	0.8363	0.25
Na3	Na	0	0.5	0.25
O1	O	0.259	0.3294	0.396
O2	O	0.27	0	0.396

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

F. Ye et al. PHYSICAL REVIEW B (2012) · doi:10.1103/physrevb.85.180403

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.10_Na2IrO3.mcif from MAGNDATA · entry page

sha256 of this copy: fc1c27a0de8fb0408ddc5189c8438e2aeab9c5a038806db9fdb78e6e4b9b2782
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.10_Na2IrO3.mcif.