Research/Sitter/MAGNDATA / 0.209_TlFe1.6Se2.mcif

TlFe_1.6Se₂

MAGNDATA entry 0.209 · source

antiferromagnet

No net magnetisation, and up and down sublattices are related by a shift or by inversion, so the bands stay spin-degenerate: a conventional antiferromagnet.

Spin group ¹4/¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 500 K (227 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	I 4/m′ BNS 87.78
Parent space group	I 4/m No. 87
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 8.64 · b 8.64 · c 13.878 Å · α 90° · β 90° · γ 90°
Transition	500 K (227 °C)
Measured at	150 K
Magnetic ions	Fe
Largest moment component	3.141 μ_B
Method	NSD

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 I 4/m′ →

Atom sites · 5 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Tl1	Tl	0	0	0
Tl2	Tl	0.1937	0.3941	0
Fe1	Fe	0.0922	0.1963	0.2467	0	0	3.141	3.141
Se1	Se	0	0	0.365
Se2	Se	0.1986	0.3907	0.3549

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

A.F. May et al. PHYSICAL REVIEW LETTERS (2012) · doi:10.1103/PhysRevLett.109.077003

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.209_TlFe1.6Se2.mcif from MAGNDATA · entry page

sha256 of this copy: d3b77476bc267a2592f03f347da2e6127b9379559b0a54f654bc1381307bb697
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.209_TlFe1.6Se2.mcif.