Research/Sitter/MAGNDATA / 1.1.158_(CH3NH3)Co0.5Ni0.5(HCOO)3.mcif

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Spin lattice of C4H9Co0.526N1Ni0.474O6Spin lattice of C4H9Co0.526N1Ni0.474O6

C4H9Co0.526N1Ni0.474O6

MAGNDATA entry 1.1.158 · source
incommensurate
Incommensurate: the magnetic pattern's repeat length isn't a whole number of crystal cells, so it never lines up with the lattice.
ordered ≤ 22.5 K (−251 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.
Structure · 11 properties
Magnetic groupPn′ma′(00γ)0s0
Point groupm′m′m
Parent space groupPnma No. 62
Repeats every8.01 cells along c (not a whole number: that's what incommensurate means)
Propagation[0 0 0.1249] 1k
Cella 8.201 · b 11.5747 · c 8.1144 Å · α 90° · β 90° · γ 90°
Transition22.5 K (−251 °C)
Measured at2 K
Magnetic ionsCo, Ni
Largest moment component2.33 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 Pn′ma′(00γ)0s0 →
Atom sites · 15 sites · CSV
siteelementxyzmambmc|m| (μB)
Co1Co0.50.510.71−0.62.332.5086
Ni1Ni0.50.510.71−0.62.332.5086
N1N0.58530.750.5299
C1C0.41180.750.4756
C2C0.27930.47060.7214
C3C0.50960.750.9449
O1O0.40340.42960.7869
O2O0.22630.4410.5818
O3O0.52390.65480.8734
H1H0.58780.750.656
H2H0.6460.82140.4878
H3H0.40790.750.3423
H4H0.35230.82590.5213
H5H0.20980.53620.7869
H6H0.48340.751.0777

Incommensurate: the moments are modulated; the picture evaluates each atom's Fourier series at its own phase.

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

M. Geers et al. IUCrJ (2024) · doi:10.1107/S2052252524008583

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.1.158_(CH3NH3)Co0.5Ni0.5(HCOO)3.mcif from MAGNDATA · entry page

sha256 of this copy: 370e8f6b4e48d512de839a31a883a81e1d1bbda57f7b509f983aa0b53aa04361
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.1.158_(CH3NH3)Co0.5Ni0.5(HCOO)3.mcif.