Research/Sitter/MAGNDATA / 1.230_NiPS3.mcif

NiPS₃

MAGNDATA entry 1.230 · 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 ¹2/¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 155 K (−118 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 9 properties

Magnetic group	P_C 2₁/m BNS 11.57
Parent space group	C 2/m No. 12
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 1 0] 1k
Cell	a 5.812 · b 10.07 · c 6.632 Å · α 90° · β 106.98° · γ 90°
Transition	155 K (−118 °C)
Magnetic ions	Ni
Largest moment component	1 μ_B
Method	The experimental method is not mentioned

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_C 2₁/m →

Atom sites · 4 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ni1	Ni	0	0.333	0	0	0	1	1
P1	P	0.057	0	0.171
S1	S	0.751	0	0.247
S2	S	0.248	0.166	0.248

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

R. Brec et al. Solid State Ionics (1986) · doi:10.1016/0167-2738(86)90055-X

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.230_NiPS3.mcif from MAGNDATA · entry page

sha256 of this copy: 40418e8b97893a8b68058410670fc90e66bec9f348b63f27a38371f1eacc82eb
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.230_NiPS3.mcif.