Research/Sitter/MAGNDATA / 0.466_ThCr2Si2.mcif

ThCr₂Si₂

MAGNDATA entry 0.466 · 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 ¹4/¹m¹m¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 830 K (557 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	I m′ m m BNS 71.535
Parent space group	I 4/m m m No. 139
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 4.025 · b 4.025 · c 10.546 Å · α 90° · β 90° · γ 90°
Transition	830 K (557 °C)
Measured at	1.5 K
Magnetic ions	Cr
Largest moment component	1.2 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 I m′ m m →

Atom sites · 3 sites · CSV

site	element	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Th1	Th	0	0
Cr1	Cr	0.5	0.25	1.2	0	0	1.2
Si1	Si	0	0.377

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. Szytula et al. Solid State Communications (2012) · doi:10.1016/j.ssc.2012.03.015

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.466_ThCr2Si2.mcif from MAGNDATA · entry page

sha256 of this copy: e2b0b63b8e1168de405ace7ac804ce5424e8c3342f85d00ea4c6a26942f17218
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.466_ThCr2Si2.mcif.