Research/Sitter/MAGNDATA / 1.1.116_UPd2Si2.mcif

UPd₂Si₂

MAGNDATA entry 1.1.116 · 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 ≤ 136 K (−137 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	I4/mmm1′(0,0,γ)00sss
Point group	4/mmm1′
Parent space group	I 4/m m m No. 139
Repeats every	1.37 cells along c (not a whole number: that's what incommensurate means)
Propagation	[0 0 0.732] 1k
Cell	a 4.2 · b 4.2 · c 10.23 Å · α 90° · β 90° · γ 90°
Transition	136 K (−137 °C)
Measured at	120 K
Magnetic ions	U
Largest moment component	2.3 μ_B
Method	NSPD

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 I4/mmm1′(0,0,γ)00sss →

Atom sites · 3 sites · CSV

site	element	y	z
Pd1	Pd	0.5	0.25
U1	U	0	0
Si1	Si	0	0.383

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 (μ_B), as magCIF writes them. Symmetry generates the rest of the cell from these sites.

Source

B. Shemirani et al. PHYSICAL REVIEW B (1993) · doi:10.1103/PhysRevB.47.8672

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.1.116_UPd2Si2.mcif from MAGNDATA · entry page

sha256 of this copy: 4a00fb8abf619c69b2f26da6868b7bf5975c00cf046b1a57a9263977d07bf1fb
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.1.116_UPd2Si2.mcif.