Research/Sitter/MAGNDATA / 1.619_MnS.mcif

MnS

MAGNDATA entry 1.619 · 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 ¹3̄¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 152 K (−121 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	C_c 2/m BNS 12.63
Point group	2/m1′
Parent space group	F m 3 m No. 225
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1/2 1/2 1/2] 1k
Cell	a 10.4056 · b 10.4056 · c 10.4056 Å · α 90° · β 90° · γ 90°
Transition	152 K (−121 °C)
Measured at	4 K
Magnetic ions	Mn
Largest moment component	3.11 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 C_c 2/m →

Atom sites · 2 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Mn1	Mn	0	0	0	3.11	0	−3.11	4.3982
S1	S	0.25	0.25	0.25

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

J. K. Clark et al. J. Phys. Chem. C (2021) · doi:10.1021/acs.jpcc.1c02956

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.619_MnS.mcif from MAGNDATA · entry page

sha256 of this copy: ba35cccfef2fc24d9951a59da00fb1f0f15da52e77dfc30bb919f589feddcc5f
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.619_MnS.mcif.