Research/Sitter/MAGNDATA / 0.1078_[Na(OH2)3]Mn(NCS)3.mcif

⬇ Download .mcif  ·  Data (JSON)

Spin lattice of Na1O3H6Mn1N3C3S3Spin lattice of Na1O3H6Mn1N3C3S3

Na1O3H6Mn1N3C3S3

MAGNDATA entry 0.1078 · 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 ¹3̄ × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.
ordered ≤ 18.1 K (−255 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.
Structure · 11 properties
Magnetic groupP 3′ BNS 147.15
Point group3′
Parent space groupP 3 No. 147
Spinscollinear · net moment 0 μB per cell
Propagation[0 0 0] 1k
Cella 10.0384 · b 10.0384 · c 6.2313 Å · α 90° · β 90° · γ 120°
Transition18.1 K (−255 °C)
Measured at2 K
Magnetic ionsMn
Largest moment component4.1 μB
MethodNSD

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 P 3′ →
Atom sites · 9 sites · CSV
siteelementxyzmambmc|m| (μB)
Mn1Mn0.33330.66670.5428004.14.1
S1S0.85730.32190.1631
Na1Na000.5
Na2Na000
O1O0.16940.18860.2567
N1N0.1440.48930.3667
C1C0.02450.41970.2828
H1AH0.19030.29270.2569
H1BH0.26840.1950.2432

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

Madeleine Geers et al. Phys. Chem. Chem. Phys. (2024) · doi:10.1039/D4CP01265H

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.1078_[Na(OH2)3]Mn(NCS)3.mcif from MAGNDATA · entry page

sha256 of this copy: 6b05ed2dc7a358a477b5534cd3f70347ca6bef6a61c893cec589e5f4217924b7
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.1078_[Na(OH2)3]Mn(NCS)3.mcif.