Research/Sitter/MAGNDATA / 1.808_BaFeO2.96.mcif

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Spin lattice of Ba1Fe1O2.96Spin lattice of Ba1Fe1O2.96

Ba1Fe1O2.96

MAGNDATA entry 1.808 · 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 ¹6/¹m¹m¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.
ordered ≤ 156 K (−117 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.
Structure · 11 properties
Magnetic groupAa m m 2 BNS 38.192
Point groupmm21′
Parent space groupP 63/m m c No. 194
Spinscollinear · net moment 0 μB per cell
Propagation[0 0 1/2] 1k
Cella 5.6584 · b 5.6584 · c 27.7189 Å · α 90° · β 90° · γ 120°
Transition156 K (−117 °C)
Measured at10 K
Magnetic ionsFe
Largest moment component3.97 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 Aa m m 2 →
Atom sites · 15 sites · CSV
siteelementxyzmambmc|m| (μB)
Ba1_1Ba000.125
Ba1_2Ba000.375
Ba2_1Ba0.33330.66670.2948
Ba2_2Ba0.66670.33330.5448
Fe1Fe000−3.97−3.9703.97
Fe2_1Fe0.66670.33330.42382.082.0802.08
Fe2_2Fe0.33330.66670.6738−0.5−0.500.5
O1_1O0.48470.96940.125
O1_2O0.48470.51530.125
O1_3O0.51530.03060.375
O1_4O0.51530.48470.375
O2_1O0.16990.33980.208
O2_2O0.16990.83010.208
O2_3O0.83010.66020.458
O2_4O0.83010.16990.458

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

D. Gutierrez-Martin et al. Journal of Alloys and Compounds (2025) · doi:10.1016/j.jallcom.2024.177081

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.808_BaFeO2.96.mcif from MAGNDATA · entry page

sha256 of this copy: 0e55b8dbd5862cccbde48d67cdcf1c3e9b6649b85909bcbae55bd032c7e84a60
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.808_BaFeO2.96.mcif.