Research/Sitter/MAGNDATA / 1.778_ThCr2Si2C.mcif

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Spin lattice of Th1Cr2Si2C1Spin lattice of Th1Cr2Si2C1

Th1Cr2Si2C1

MAGNDATA entry 1.778 · 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 ≤ 370 K (97 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.
Structure · 11 properties
Magnetic groupPa m m a BNS 51.298
Point groupmmm1′
Parent space groupP 4/m m m No. 123
Spinscollinear · net moment 0 μB per cell
Propagation[0 0 1/2] 1k
Cella 4.054 · b 4.054 · c 10.56 Å · α 90° · β 90° · γ 90°
Transition370 K (97 °C)
Measured at6 K
Magnetic ionsCr
Largest moment component0.61 μB
MethodNPD

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 Pa m m a →
Atom sites · 5 sites · CSV
siteelementxyzmambmc|m| (μB)
Th1Th000
Cr1_1Cr00.50.250.61000.61
Cr1_2Cr0.500.250.61000.61
Si1Si0.50.50.118
C1C000.25

Moment components are along the crystal axes a, b, c (μB), as magCIF writes them. Symmetry generates the rest of the cell from these sites.

Source

Y. Xiao et al. Inorg. Chem. (2024) · doi:10.1021/acs.inorgchem.3c02988

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.778_ThCr2Si2C.mcif from MAGNDATA · entry page

sha256 of this copy: 41b9f9de09cfd30bad4b7dd53ccfa4e410a0143b5e95388e3a4fa1c8e1f8969f
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.778_ThCr2Si2C.mcif.