Research/Sitter/MAGNDATA / 1.1.53_YBaCuFeO5.mcif

YBaCuFeO₅

MAGNDATA entry 1.1.53 · source

incommensurate spiral

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 spiral: the spin direction rotates as you move along.

ordered ≤ 175 K (−98 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P4221′(1/21/2γ)q00s
Point group	4221′
Parent space group	P 4/m m m No. 123
Repeats every	2 cells along a (not a whole number: that's what incommensurate means)
Propagation	[0.5 0.5 0.4122] 1k
Cell	a 3.8674 · b 3.8674 · c 7.6317 Å · α 90° · β 90° · γ 90°
Transition	175 K (−98 °C)
Measured at	3.5 K
Magnetic ions	Cu, Fe
Largest moment component	2.95 μ_B
Method	NSD and NPD

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 P4221′(1/21/2γ)q00s →

Atom sites · 6 sites · CSV

site	element	x	y	z
Y1_1	Y	0	0	0.5
Ba1_1	Ba	0	0	0
Cu1_1	Cu	0.5	0.5	0.2833
Fe1_1	Fe	0.5	0.5	0.2546
O1_1	O	0.5	0.5	0
O2_1	O	0	0.5	0.6847

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

Y.-C. Lai et al. J. Phys.: Condens. Matter (2017) · doi:10.1088/1361-648X/aa5708

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.1.53_YBaCuFeO5.mcif from MAGNDATA · entry page

sha256 of this copy: 331c29d0befc4e66cf25640ed69b6d7f13a4d87e4f17cdc02ba2eda6792ed420
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.1.53_YBaCuFeO5.mcif.