Research/Sitter/MAGNDATA / 1.762_CaFe3O5.mcif

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Spin lattice of Ca1Fe3O5Spin lattice of Ca1Fe3O5

Ca1Fe3O5

MAGNDATA entry 1.762 · 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 ≤ 281 K (8 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.
Structure · 11 properties
Magnetic groupPa b c a BNS 61.438
Point groupmmm1′
Parent space groupC m c m No. 63
Spinscollinear · net moment 0 μB per cell
Propagation[1/2 0 0] 1k
Cella 6.0599 · b 10.04302 · c 12.58747 Å · α 90° · β 90° · γ 90°
Transition281 K (8 °C)
Measured at5 K
Magnetic ionsFe
Largest moment component4.124 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 b c a →
Atom sites · 6 sites · CSV
siteelementxyzmambmc|m| (μB)
Fe1Fe00.26540.110900−4.1244.124
Fe2Fe00000−3.7923.792
Ca1Ca00.51850.25
O1O00.19210.25
O2O00.64880.4473
O3O00.90110.1356

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

⬇ 1.762_CaFe3O5.mcif from MAGNDATA · entry page

sha256 of this copy: cfe3f224a18349a045090fd13b8b941f6aca951718500eb7c2874882838527cc
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.762_CaFe3O5.mcif.