Research/Sitter/MAGNDATA / 1.1.5_CaFe4As3.mcif

⬇ Download .mcif  ·  Data (JSON)

Spin lattice of Ca1Fe4As3Spin lattice of Ca1Fe4As3

Ca1Fe4As3

MAGNDATA entry 1.1.5 · source
incommensurate spin-density wave
Incommensurate: the magnetic pattern repeats every so many cells, but not a whole number of them, so it never lines up with the crystal lattice. Here it's a spin-density wave: the size of the spin swells and shrinks as you move along.
ordered ≤ 85 K (−188 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.
Structure · 11 properties
Magnetic groupPnma1′(0β0)000s
Point groupmmm1′
Parent space groupP n m a No. 62
Repeats every2.67 cells along b (not a whole number: that's what incommensurate means)
Propagation[0 0.375 0] 1k
Cella 11.8729 · b 3.7396 · c 11.5739 Å · α 90° · β 90° · γ 90°
Transition85 K (−188 °C)
Measured at1.5 K
Magnetic ionsFe
Largest moment component2.14 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 Pnma1′(0β0)000s →
Atom sites · 8 sites · CSV
siteelementxyzmambmc|m| (μB)
As1As0.1010.250.1219
As2As0.11550.250.7373
As3As0.36730.250.9228
Fe1Fe0.0210.250.3135
Fe2Fe0.06680.250.5373
Fe3Fe0.30580.250.1247
Fe4Fe0.31840.250.7237
Ca1Ca0.34020.250.4306

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

Manuel, P. et al. PHYSICAL REVIEW B (2010) · doi:10.1103/PhysRevB.81.184402

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.1.5_CaFe4As3.mcif from MAGNDATA · entry page

sha256 of this copy: 1e6d2187819da5c103f84e2396a2c04a4022d32edce6dcff4142d0795e5f0764
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.1.5_CaFe4As3.mcif.