Research/Sitter/MAGNDATA / 1.392_KCuMnS2.mcif

KCuMnS₂

MAGNDATA entry 1.392 · 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 ¹m¹m¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 160 K (−113 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	C_A m m m BNS 65.490
Parent space group	I 4/m m m No. 139
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1/2 -1/2 0] 1k
Cell	a 7.8884 · b 7.8884 · c 13.239 Å · α 90° · β 90° · γ 90°
Transition	160 K (−113 °C)
Measured at	3.5 K
Magnetic ions	Mn
Largest moment component	0.327 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_A m m m →

Atom sites · 4 sites · CSV

site	element	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Mn1	Mn	0.25	0.25	0.327	−0.327	0	0.4624
Cu1	Cu	0.25	0.25
K1	K	0	0.5
S1	S	0	0.8561

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

A. Virtue et al. PHYSICAL REVIEW MATERIALS (2019) · doi:10.1103/PhysRevMaterials.3.044411

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.392_KCuMnS2.mcif from MAGNDATA · entry page

sha256 of this copy: d282b778790787bec1b6dd3fd262a07c34351847d686c94985fd080a46e434f6
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.392_KCuMnS2.mcif.