Research/Sitter/MAGNDATA / 1.800_NiO.mcif

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Spin lattice of Ni1O1Spin lattice of Ni1O1

Ni1O1

MAGNDATA entry 1.800 · 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 ¹2/¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.
ordered ≤ 525 K (252 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.
Structure · 11 properties
Magnetic groupCc 2/c BNS 15.90
Point group2/m1′
Parent space groupF m 3 m No. 225
Spinscollinear · net moment 0 μB per cell
Propagation[1/2 1/2 1/2] 1k
Cella 5.10964 · b 2.95005 · c 5.89292 Å · α 90° · β 125.314° · γ 90°
Transition525 K (252 °C)
Measured at1.8 K
Magnetic ionsNi
Largest moment component2.1283 μB
MethodA different 3k rhombohedral model with MSG RI-3c (see entry #3.28) can equally well fit the diffraction data, and with similar value of m. The present model is however considered more probable as the one corresponding to the real system. See the discussion in the paper for further details.

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 Cc 2/c →
Atom sites · 2 sites · CSV
siteelementxyzmambmc|m| (μB)
Ni1Ni0002.128300.761.7992
O1O00.50.75

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

V. Pomjakushin et al. Acta Cryst. B (2024) · doi:10.1107/S205252062400756X

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.800_NiO.mcif from MAGNDATA · entry page

sha256 of this copy: 221265d2e57e00c42d68043e2da6d6e9df0959e0359dbecb8201ad47a5f72edc
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.800_NiO.mcif.