Research/Sitter/MAGNDATA / 1.1.17_Ba3NbFe3Si2O14.mcif

Ba₃NbFe₃Si₂O₁₄

MAGNDATA entry 1.1.17 · 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 ≤ 27 K (−246 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P3211′(00γ)000s
Point group	321′
Parent space group	P 321 No. 150
Repeats every	6.99 cells along c (not a whole number: that's what incommensurate means)
Propagation	[0 0 0.143] 1k
Cell	a 8.539 · b 8.539 · c 5.2414 Å · α 90° · β 90° · γ 120°
Transition	27 K (−246 °C)
Measured at	2 K
Magnetic ions	Fe
Largest moment component	4.62 μ_B
Method	NSD and also spin polarized diffraction

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 P3211′(00γ)000s →

Atom sites · 7 sites · CSV

site	element	x	y	z
Ba1	Ba	0.566	0	0
Nb1	Nb	0	0	0
Fe1	Fe	0.2496	0	0.5
Si1	Si	0.6667	0.3333	0.522
O1	O	0.6667	0.3333	0.2162
O2	O	0.5259	0.7024	0.3536
O3	O	0.784	0.9002	0.776

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

K. Marty et al. PHYSICAL REVIEW LETTERS (2008) · doi:10.1103/PhysRevLett.101.247201

Cite the original paper and MAGNDATA, not this mirror.

Mirror note

re-encoded from Mac OS Roman to UTF-8. Differs from the Bilbao original.

Original file

⬇ 1.1.17_Ba3NbFe3Si2O14.mcif from MAGNDATA · entry page

sha256 of this copy: 43593e9c3f5bf1c70eacd23c240e97ab4da41233d57ef9a5f212fa31683f8c18
This copy was altered (see the mirror note above), so the original will hash differently.