Research/Sitter/MAGNDATA / 1.268_Fe0.48TiSe2.mcif

Fe_0.48TiSe₂

MAGNDATA entry 1.268 · 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 ≤ 130 K (−143 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	C_c 2/c BNS 15.90
Parent space group	I 2/m No. 12
Spins	collinear · net moment 0 μ_B per cell
Propagation	[-1/2 0 1/2] 1k
Cell	a 12.4984 · b 3.5731 · c 23.8648 Å · α 90° · β 89.58° · γ 90°
Transition	130 K (−143 °C)
Measured at	2 K
Magnetic ions	Fe
Largest moment component	3.05 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/c →

Atom sites · 6 sites · CSV

site	element	x	z	m_a	m_b	m_c	\|m\| (μ_B)
Fe1	Fe	0	0	0	0	3.05	3.05
Ti1	Ti	0	0
Ti2	Ti	0.0076	0.1252
Fe2	Fe	0.0076	0.1252
Se1	Se	0.3342	0.1862
Se2	Se	0.1694	0.058

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

G. Calvarin et al. Rev. Phys. Appl. (1987) · doi:10.1051/rphysap:0198700220100113100

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.268_Fe0.48TiSe2.mcif from MAGNDATA · entry page

sha256 of this copy: 0ef7c33f7eb3f1d8f3851b5b433638d646c31476a1e869a1639df2d96958c353
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.268_Fe0.48TiSe2.mcif.