Research/Sitter/MAGNDATA / 0.239_Ca3LiRuO6.mcif

Ca₃LiRuO₆

MAGNDATA entry 0.239 · 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 ¹3̄²m: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 117 K (−156 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	C 2′/c′ BNS 15.89
Parent space group	R 3 c No. 167
Spins	collinear · 3 nodal planes · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 9.233 · b 9.233 · c 10.7441 Å · α 90° · β 90° · γ 120°
Transition	117 K (−156 °C)
Measured at	4 K
Magnetic ions	Ru
Largest moment component	2.8 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 C 2′/c′ →

Atom sites · 7 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ca1_1	Ca	0.357	0	0.25
Ca1_2	Ca	0	0.357	0.25
Li1	Li	0	0	0.25
Ru1	Ru	0	0	0	2.8	0	0	2.8
O1_1	O	0.1835	0.0272	0.1057
O1_2	O	0.9728	0.1563	0.1057
O1_3	O	0.8437	0.8165	0.1057

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. Calder et al. Phys. Rev. B (2017) · doi:10.1103/PhysRevB.96.184426

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.239_Ca3LiRuO6.mcif from MAGNDATA · entry page

sha256 of this copy: f0fb6abc01f53361f07fb0fad5d3e36495d1c293cf235d56212e28c395b5aa2e
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.239_Ca3LiRuO6.mcif.