Research/Sitter/MAGNDATA / 0.714_Li2Ni(SO4)2.mcif

Li₂Ni(SO₄)₂

MAGNDATA entry 0.714 · 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 ≤ 15 K (−258 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P 2₁/c BNS 14.75
Point group	2/m
Parent space group	P 2₁/c No. 14
Spins	collinear · 1 nodal planes · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 4.95705 · b 7.98479 · c 8.70763 Å · α 90° · β 121.865° · γ 90°
Transition	15 K (−258 °C)
Measured at	3 K
Magnetic ions	Ni
Largest moment component	2.29 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 · 7 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ni1	Ni	0	0	0	2.29	0	0	2.29
Li1	Li	0.017	0.64	0.105
S1	S	0.342	0.3096	0.3069
O1	O	0.1902	0.4208	0.1561
O2	O	0.2023	0.1328	0.2458
O3	O	0.2883	0.3538	0.4539
O4	O	0.6802	0.3016	0.3803

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. Singh et al. Chem. Mater. (2021) · doi:10.1021/acs.chemmater.1c01669

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.714_Li2Ni(SO4)2.mcif from MAGNDATA · entry page

sha256 of this copy: 240138e2d7c9a26a963a8c46a74ccc0036355827209667407df4e4161eb4a9c2
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.714_Li2Ni(SO4)2.mcif.