Research/Sitter/MAGNDATA / 0.163_MnPS3.mcif

MnPS₃

MAGNDATA entry 0.163 · 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 ≤ 78 K (−195 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	C 2′/m BNS 12.60
Point group	2′/m
Parent space group	C 2/m No. 12
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 6.077 · b 10.524 · c 6.796 Å · α 90° · β 107.35° · γ 90°
Transition	78 K (−195 °C)
Measured at	10 K
Magnetic ions	Mn
Largest moment component	4.6 μ_B
Method	NSD, Neutron polarimetry.

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 C 2′/m →

Atom sites · 4 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Mn1	Mn	0	0.3326	0	1.99	0	4.6	4.434
P1	P	0.0556	0	0.1686
S1	S	0.7593	0	0.2497
S2	S	0.2438	0.1612	0.2516

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

E. Ressouche et al. PHYSICAL REVIEW B (2010) · doi:10.1103/PhysRevB.82.100408

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.163_MnPS3.mcif from MAGNDATA · entry page

sha256 of this copy: ef48ec4626199f233b68420a6a91223c1b654bb6f19d46f0b45c015f68c9d4f1
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.163_MnPS3.mcif.