Research/Sitter/MAGNDATA / 0.1090_NH4CrF3.mcif

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Spin lattice of Cr1F3H4N1Spin lattice of Cr1F3H4N1

Cr1F3H4N1

MAGNDATA entry 0.1090 · source
d-wave altermagnet
No net magnetisation, yet the electron bands are spin-split: the up and down spin sublattices are related only by a rotation or mirror, never by a shift or inversion. d-wave: the splitting changes sign twice around the Fermi surface (2 nodal planes).
Spin group ²4/¹m¹m²m: each symmetry marked ¹ keeps every spin, ² swaps up and down.
ordered ≤ 60 K (−213 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.
Structure · 11 properties
Magnetic groupC c c′ m′ BNS 66.496
Point groupm′m′m
Parent space groupP 42/m b c No. 135
Spinscollinear · 2 nodal planes · net moment 0 μB per cell
Propagation[0 0 0] 1k
Cella 8.7986 · b 8.7986 · c 7.9586 Å · α 90° · β 90° · γ 90°
Transition60 K (−213 °C)
Measured at1.7 K
Magnetic ionsCr
Largest moment component3.7 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 C c c′ m′ →
Atom sites · 9 sites · CSV
siteelementxyzmambmc|m| (μB)
Cr1_1Cr−0.250.25003.703.7
Cr1_2Cr0.250.25−0.50−3.703.7
F1_1F−0.250.25−0.25
F1_2F0.250.25−0.75
F2_1F−0.5248−0.22660
F2_2F−0.22660.5248−0.5
N1N00−0.25
H1_1H−0.4062−0.0082−0.3254
H1_2H−0.00820.4062−0.8254

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

Oystein S. Fjellvag et al. Inorg. Chem. (2024) · doi:10.1021/acs.inorgchem.4c00931

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.1090_NH4CrF3.mcif from MAGNDATA · entry page

sha256 of this copy: e18b1f90937981763f8d4f5be6fd64679d708aac0a5fa813c3cfb82dd1697656
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.1090_NH4CrF3.mcif.