Research/Sitter/MAGNDATA / 1.802_CrSBr.mcif

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Spin lattice of Cr1S1Br1Spin lattice of Cr1S1Br1

Cr1S1Br1

MAGNDATA entry 1.802 · 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 ≤ 140 K (−133 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.
Structure · 11 properties
Magnetic groupPa n m a BNS 62.450
Point groupmmm1′
Parent space groupP m m n No. 59
Spinscollinear · net moment 0 μB per cell
Propagation[0 0 1/2] 1k
Cella 15.8241 · b 4.74479 · c 3.51206 Å · α 90° · β 90° · γ 90°
Transition140 K (−133 °C)
Measured at1.8 K
Magnetic ionsCr
Largest moment component3.09 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 n m a →
Atom sites · 3 sites · CSV
siteelementxyzmambmc|m| (μB)
Cr1Cr0.56410.250.7503.0903.09
S1S0.53850.750.75
Br1Br0.32360.750.75

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

S.A. Lopez-Paz et al. Nature Communications (2022) · doi:10.1038/s41467-022-32290-4

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.802_CrSBr.mcif from MAGNDATA · entry page

sha256 of this copy: 6782e0bd258cd01bd53686eb7357d38e9b05110479b00c7b908d93363abeec2c
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.802_CrSBr.mcif.