Research/Sitter/MAGNDATA / 1.754_BaFe2O4.mcif

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Spin lattice of Ba1Fe2O4Spin lattice of Ba1Fe2O4

Ba1Fe2O4

MAGNDATA entry 1.754 · 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 ≤ 890.5 K (617 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.
Structure · 11 properties
Magnetic groupPC c a 21 BNS 29.109
Point groupmm21′
Parent space groupC m c 21 No. 36
Spinscollinear · net moment 0 μB per cell
Propagation[1 0 0] 1k
Cella 19.06414 · b 8.45514 · c 5.39014 Å · α 90° · β 90° · γ 90°
Transition890.5 K (617 °C)
Measured at300 K
Magnetic ionsFe
Largest moment component3.74 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 PC c a 21 →
Atom sites · 9 sites · CSV
siteelementxyzmambmc|m| (μB)
Ba1Ba0.38210.250
Ba2Ba0.86880.250.024
Fe1Fe0.79360.02990.5280−3.7403.74
Fe2Fe−0.04070.03890.5103.7403.74
O1O0.79850.250.52
O2O0.877−0.03920.382
O3O0.0404−0.03990.355
O4O−0.03520.250.416
O5O0.7882−0.02750.862

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

F. Orlandi et al. Nat. Commun. (2022) · doi:10.1038/s41467-022-35669-5

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.754_BaFe2O4.mcif from MAGNDATA · entry page

sha256 of this copy: 39f22959505e7e81f61068873d4086dc71cffec5e4628aa57bcc7bd84e551851
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.754_BaFe2O4.mcif.