Research/Sitter/MAGNDATA / 1.27_TaFe1+yTe3.mcif

TaFe_1+yTe₃

MAGNDATA entry 1.27 · 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 ≤ 178 K (−95 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P_c 2₁/c BNS 14.82
Point group	2/m1′
Parent space group	P 2₁/m No. 11
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1/2 0 1/2] 1k
Cell	a 14.8524 · b 3.6374 · c 19.985 Å · α 90° · β 109.17° · γ 90°
Transition	178 K (−95 °C)
Measured at	5 K
Magnetic ions	Fe
Largest moment component	1.8 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 P_c 2₁/c →

Atom sites · 6 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ta1	Ta	0.333	0.25	0.0997
Fe1	Fe	0.0572	0.25	0.2944	1.1	0	−1.5	2.1316
Fe2	Fe	0.3663	0.25	0.253	−1.35	0	1.8	2.5804
Te1	Te	0.0304	0.25	0.1568
Te2	Te	0.1412	0.25	0.0014
Te3	Te	0.2418	0.25	0.3295

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

X. Ke et al. PHYSICAL REVIEW B (2012) · doi:10.1103/physrevb.85.214404

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.27_TaFe1+yTe3.mcif from MAGNDATA · entry page

sha256 of this copy: 51a15f845fbb382ac4e71bcbc2840f585de4d7f45cf4baeac121a3cac9eb4510
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.27_TaFe1+yTe3.mcif.