Research/Sitter/MAGNDATA / 1.167_NiS2.mcif

NiS₂

MAGNDATA entry 1.167 · 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_S 1 BNS 2.7
Point group	11′
Parent space group	P a 3 No. 205
Spins	noncoplanar · net moment 0 μ_B per cell
Propagation	[1/2 1/2 1/2] 1k
Cell	a 11.374 · b 11.374 · c 11.374 Å · α 90° · β 90° · γ 90°
Transition	39 K (−234 °C)
Measured at	2 K
Magnetic ions	Ni
Largest moment component	1.033 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_S 1 →

Atom sites · 8 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ni1_1	Ni	0	0	0	−0.895	0.895	0	1.2657
Ni1_2	Ni	0.25	0	0.25	0.517	−0.138	0.378	0.6551
Ni1_3	Ni	0	0.25	0.25	−0.138	−0.517	−0.378	0.6551
Ni1_4	Ni	0.25	0.25	0	−0.517	0.517	−1.033	1.2656
S1_1	S	0.1965	0.1965	0.1965
S1_2	S	0.0535	0.8035	0.4465
S1_3	S	0.8035	0.4465	0.0535
S1_4	S	0.4465	0.0535	0.8035

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. Yano et al. PHYSICAL REVIEW B (2016) · doi:10.1103/PhysRevB.93.024409

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.167_NiS2.mcif from MAGNDATA · entry page

sha256 of this copy: 6a20c96953d6720394a88948eaeaabcf61b81a672cf0bcc8910cfe0d08ea924a
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.167_NiS2.mcif.