Research/Sitter/MAGNDATA / 1.1.151_CaFe3O5.mcif

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Spin lattice of Ca1Fe3O5Spin lattice of Ca1Fe3O5

Ca1Fe3O5

MAGNDATA entry 1.1.151 · source
incommensurate spin-density wave
Incommensurate: the magnetic pattern repeats every so many cells, but not a whole number of them, so it never lines up with the crystal lattice. Here it's a spin-density wave: the size of the spin swells and shrinks as you move along.
ordered ≤ 289 K (16 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.
Structure · 11 properties
Magnetic groupCmcm1′(0,0,γ)00ss
Point groupmmm1′
Parent space groupC m c m No. 63
Repeats every1.98 cells along a (not a whole number: that's what incommensurate means)
Propagation[0.50578 0 0] 1k
Cella 3.03413 · b 10.05606 · c 12.61796 Å · α 90° · β 90° · γ 90°
Transition289 K (16 °C)
Measured at283 K
Magnetic ionsFe
Largest moment component2.02 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 Cmcm1′(0,0,γ)00ss →
Atom sites · 6 sites · CSV
siteelementxyzmambmc|m| (μB)
Fe1Fe00.26570.1108
Fe2Fe000
Ca1Ca00.51950.25
O1O00.19220.25
O2O00.64830.4473
O3O00.90220.1357

Incommensurate: the moments are modulated; the picture evaluates each atom's Fourier series at its own phase.

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. J. Cassidy et al. Nature Comm. (2019) · doi:10.1038/s41467-019-13450-5

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.1.151_CaFe3O5.mcif from MAGNDATA · entry page

sha256 of this copy: 009b58e911a054253d5ec831366f98542d695ad08a7e224533f178d6c6038946
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.1.151_CaFe3O5.mcif.