Research/Sitter/MAGNDATA / 0.71_Li2Ni(SO4)2.mcif

Li₂Ni(SO₄)₂

MAGNDATA entry 0.71 · source

antiferromagnet

No net magnetisation, and up and down sublattices are related by a shift or by inversion, so the bands stay spin-degenerate: a conventional antiferromagnet.

Spin group ¹m¹m¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 28 K (−245 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P b′ c′ a′ BNS 61.437
Point group	m′m′m′
Parent space group	P b c a No. 61
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 9.1236 · b 9.0096 · c 13.5593 Å · α 90° · β 90° · γ 90°
Transition	28 K (−245 °C)
Measured at	1.85 K
Magnetic ions	Ni
Largest moment component	2.15 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 b′ c′ a′ →

Atom sites · 13 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ni	Ni	0.8615	0.6029	0.378	0	0	2.15	2.15
Li1	Li	0.467	0.719	0.375
Li2	Li	0.724	0.54	0.626
S1	S	0.66	0.812	0.508
O11	O	0.501	0.8	0.5233
O12	O	0.704	0.969	0.494
O13	O	0.6882	0.7284	0.4169
O14	O	0.7426	0.756	0.5946
S2	S	0.576	0.431	0.274
O21	O	0.4824	0.4965	0.3476
O22	O	0.524	0.4639	0.1713
O23	O	0.5736	0.2647	0.2779
O24	O	0.7279	0.488	0.2793

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

M. Reynaud et al. PHYSICAL REVIEW B (2014) · doi:10.1103/physrevb.89.104419

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.71_Li2Ni(SO4)2.mcif from MAGNDATA · entry page

sha256 of this copy: 7a3deb7f924ce70c7532de4d94acb3042f99d089e23271532814fc29ef02a29c
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.71_Li2Ni(SO4)2.mcif.