Research/Sitter/MAGNDATA / 1.642_TlFeS2.mcif

TlFeS₂

MAGNDATA entry 1.642 · 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 ¹2/¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 190 K (−83 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	C_c 2/m BNS 12.63
Point group	2/m1′
Parent space group	C 2/m No. 12
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 1 1/2] 1k
Cell	a 13.6818 · b 21.06 · c 5.32 Å · α 90° · β 90° · γ 98.48°
Transition	190 K (−83 °C)
Measured at	16 K
Magnetic ions	Fe
Largest moment component	1.57 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 C_c 2/m →

Atom sites · 4 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Tl1	Tl	0.483	0.1625	0
Fe1	Fe	0	0	0.254	−0.78	1.57	0	1.8532
S1	S	0.3705	0.02	0
S2	S	0.292	0.338	0

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

D. Welz et al. J. Phys. Chem. Solids (1989) · doi:10.1016/0022-3697(89)90492-7

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.642_TlFeS2.mcif from MAGNDATA · entry page

sha256 of this copy: b388eee619d33ee42c8ca389f77b40fbb7ee2011511af239f80c14cc5254fca3
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.642_TlFeS2.mcif.