Research/Sitter/MAGNDATA / 0.1180_NiS2.mcif

NiS₂

MAGNDATA entry 0.1180 · source

noncoplanar magnet

Spins pointing in three dimensions, not confined to a plane.

ordered ≤ 39 K (−234 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P a 3 BNS 205.33
Point group	m31
Parent space group	P a 3 No. 205
Spins	noncoplanar · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 5.676656 · b 5.676656 · c 5.676656 Å · α 90° · β 90° · γ 90°
Transition	39 K (−234 °C)
Measured at	30 K
Magnetic ions	Ni
Largest moment component	0.389 μ_B
Method	NPD on WISH.

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 a 3 →

Atom sites · 2 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ni1	Ni	0	0	0	0.389	0.389	0.389	0.6738
S1	S	0.3936	0.3936	0.3936

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

Mikel Iraola et al. Nature Communications (2026) · doi:10.1038/s41467-026-76126-x

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.1180_NiS2.mcif from MAGNDATA · entry page

sha256 of this copy: 40f39e1fc77ca876d899f210d4e877e7a09c3b888a42f5c790459680449e3644
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.1180_NiS2.mcif.