Research/Sitter/MAGNDATA / 1.1.20_Li2IrO3.mcif

Li₂IrO₃

MAGNDATA entry 1.1.20 · source

incommensurate spiral

Incommensurate: the magnetic pattern repeats every so many cells, but not a whole number of them, so it never lines up with the crystal lattice. Here it's a spiral: the spin direction rotates as you move along.

ordered ≤ 38 K (−235 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	Fddd1′(α00)0s0s
Point group	mmm1′
Parent space group	F d d d No. 70
Repeats every	1.73 cells along a (not a whole number: that's what incommensurate means)
Propagation	[0.5768 0 0] 1k
Cell	a 5.8903 · b 8.4261 · c 17.7924 Å · α 90° · β 90° · γ 90°
Transition	38 K (−235 °C)
Magnetic ions	Ir
Largest moment component	0.47 μ_B
Method	NPD and magnetic X-ray resonant diffraction

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 Fddd1′(α00)0s0s →

Atom sites · 5 sites · CSV

site	element	x	y	z
Ir1	Ir	0.125	0.125	0.7085
Li1	Li	0.125	0.125	0.0417
Li2	Li	0.125	0.125	0.875
O1	O	0.855	0.125	0.125
O2	O	0.621	0.3669	0.0384

Incommensurate: the moments are modulated; the picture evaluates each atom's Fourier series at its own phase.

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

Biffin, A. et al. PHYSICAL REVIEW B (2014) · doi:10.1103/PhysRevB.90.205116

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.1.20_Li2IrO3.mcif from MAGNDATA · entry page

sha256 of this copy: 2162e63c6395ef29c089220079a03e3dd7e56a48c9a0f84578b42b0f810f140a
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.1.20_Li2IrO3.mcif.