Research/Sitter/MAGNDATA / 0.801_Tl3Fe2S4.mcif

Tl₃Fe₂S₄

MAGNDATA entry 0.801 · 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 ¹m¹m¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 90 K (−183 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P n m a′ BNS 62.445
Point group	m′mm
Parent space group	P n m a No. 62
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 7.38 · b 11.14 · c 10.73 Å · α 90° · β 90° · γ 90°
Transition	90 K (−183 °C)
Measured at	16 K
Magnetic ions	Fe
Largest moment component	1.52 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 P n m a′ →

Atom sites · 6 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Tl1	Tl	0.41	0.224	0.25
Tl2	Tl	0.452	0.865	0.077
Fe1	Fe	0.461	0.534	0.124	1.52	0	0	1.52
S1	S	0.119	0.832	0.25
S2	S	0.24	0.478	0.25
S3	S	0.143	0.123	0.053

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

⬇ 0.801_Tl3Fe2S4.mcif from MAGNDATA · entry page

sha256 of this copy: 2287d98795e827588e190e0ff319991f3c79162d8c06445d4b418cca9307b028
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.801_Tl3Fe2S4.mcif.