Research/Sitter/MAGNDATA / 0.553_K2ReI6.mcif

K₂ReI₆

MAGNDATA entry 0.553 · source

altermagnet

No net magnetisation, yet the electron bands are spin-split: the up and down spin sublattices are related only by a rotation or mirror, never by a shift or inversion.

Spin group ²2/²m: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 24 K (−249 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	P 2₁/c BNS 14.75
Parent space group	P 2₁/n No. 14
Spins	collinear · 1 nodal planes · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 7.844 · b 7.896 · c 11.363 Å · α 90° · β 90.35° · γ 90°
Transition	24 K (−249 °C)
Measured at	1.5 K
Magnetic ions	Re
Largest moment component	2.2 μ_B
Method	NPD

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 2₁/c →

Atom sites · 5 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Re1	Re	0	0	0	2.2	0	0	2.2
I1	I	0.1991	0.2811	0.9789
I2	I	0.2801	0.7993	0.9721
I3	I	0.0527	0.998	0.2376
K1	K	0.9845	0.455	0.2511

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

X. Gui et al. J. Phys. Chem. C (2019) · doi:10.1021/acs.jpcc.8b11371

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.553_K2ReI6.mcif from MAGNDATA · entry page

sha256 of this copy: b3e92d1e30d8ee485c841c43f937e39abf658f1c9de9edeead6b9ec7e5830336
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.553_K2ReI6.mcif.