Research/Sitter/MAGNDATA / 1.1.41_Li2IrO3.mcif

Li₂IrO₃

MAGNDATA entry 1.1.41 · 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 ≤ 15 K (−258 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	C2/m1′(α0γ)00s
Point group	2/m1′
Parent space group	C 2/m No. 12
Repeats every	3.13 cells along a (not a whole number: that's what incommensurate means)
Propagation	[0.319 0 0] 1k
Cell	a 5.1633 · b 8.9294 · c 5.1219 Å · α 90° · β 109.759° · γ 90°
Transition	15 K (−258 °C)
Measured at	5 K
Magnetic ions	Ir
Largest moment component	0.4 μ_B
Method	alpha-polymorph

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 C2/m1′(α0γ)00s →

Atom sites · 6 sites · CSV

site	element	x	y	z
Ir1	Ir	0	0.3332	0
Li2	Li	0	0	0
Li3	Li	0	0.809	0.5
Li4	Li	0	0.5	0.5
O1	O	0.252	0.316	0.759
O2	O	0.256	0	0.788

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

S.C. Williams et al. Phys. Rev. B (2016) · doi:10.1103/PhysRevB.93.195158

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.1.41_Li2IrO3.mcif from MAGNDATA · entry page

sha256 of this copy: 3f8596c23df7c1ce2bc1dbc6cf047281ef4f976f87b423fbf530037d6f8b2072
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.1.41_Li2IrO3.mcif.