Research/Sitter/MAGNDATA / 1.756_CaFe3O5.mcif

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Spin lattice of Ca1Fe3O5Spin lattice of Ca1Fe3O5

Ca1Fe3O5

MAGNDATA entry 1.756 · 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 ≤ 302 K (29 °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 6.0485 · b 10.02139 · c 12.56654 Å · α 90° · β 90° · γ 90°
Transition302 K (29 °C)
Measured at4 K
Magnetic ionsFe
Largest moment component4.03 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 · 7 sites · CSV
siteelementxyzmambmc|m| (μB)
Fe1Fe00.2650.1104004.034.03
Fe2Fe000004.034.03
Ca1Ca00.52010.25
Fe3Fe00.52010.25
O1O00.19240.25
O2O00.65050.4484
O3O00.90340.1357

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

K. H. Hong et al. NATURE COMMUNICATIONS (2018) · doi:10.1038/s41467-018-05363-6

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.756_CaFe3O5.mcif from MAGNDATA · entry page

sha256 of this copy: 054944600033b5b1a9dc3dc8bb484527581de4d59d79c3bd9a6eabe58c5c929f
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.756_CaFe3O5.mcif.