Research/Sitter/MAGNDATA / 1.1.79_Pb2MnWO6.mcif

Pb₂MnWO₆

MAGNDATA entry 1.1.79 · 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 ≤ 9 K (−264 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	Pmc2₁1′(α00)0s0s
Point group	mm21′
Parent space group	P m c 2₁ No. 26
Repeats every	4.35 cells along a (not a whole number: that's what incommensurate means)
Propagation	[0.23 0 0] 1k
Cell	a 8.0206 · b 5.7813 · c 11.6316 Å · α 90° · β 90° · γ 90°
Transition	9 K (−264 °C)
Measured at	7.9 K
Magnetic ions	Mn
Largest moment component	2.11 μ_B
Method	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 Pmc2₁1′(α00)0s0s →

Atom sites · 16 sites · CSV

site	element	x	y	z
Pb1	Pb	0.7628	0.9746	0.8653
Pb2	Pb	0.7462	0.5477	0.5786
W1	W	0	0.522	0.8644
W2	W	0.5	0.001	0.6117
Mn1	Mn	0.5	0.492	0.8646
Mn2	Mn	0	0.998	0.1027
O1	O	0	0.724	0.73
O2	O	0	0.311	0.973
O3	O	0.5	0.767	0.7103
O4	O	0.5	0.222	0.721
O5	O	0	0.249	0.7442
O6	O	0.5	0.209	0.477
O7	O	0.7384	0.0361	0.5956
O8	O	0.5	0.294	0.9958
O9	O	0.7667	0.52	0.8655
O10	O	0	0.786	0.9568

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

F. Orlandi et al. J. Mater. Chem. C (2014) · doi:10.1039/c4tc01450b

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.1.79_Pb2MnWO6.mcif from MAGNDATA · entry page

sha256 of this copy: 524f3bffde91407c4f8cce47fb6202419a28e14980c7ff161d0937069e0ee7a4
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.1.79_Pb2MnWO6.mcif.