Research/Sitter/MAGNDATA / 1.270_Fe0.25TiSe2.mcif

Fe_0.25TiSe₂

MAGNDATA entry 1.270 · 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 ≤ 75 K (−198 °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	F 2/m No. 12
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1 0 1/2] 1k
Cell	a 12.3229 · b 7.1325 · c 23.7878 Å · α 90° · β 89.67° · γ 90°
Transition	75 K (−198 °C)
Measured at	2 K
Magnetic ions	Fe
Largest moment component	4.03 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 · 16 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Fe1	Fe	0	0	0	0	0	4.03	4.03
Ti1	Ti	0	0	0
Ti2_1	Ti	0.4959	0	0.1252
Ti2_2	Ti	0.5041	0	0.8748
Fe2_1	Fe	0.4959	0	0.1252
Fe2_2	Fe	0.5041	0	0.8748
Ti3_1	Ti	0.25	0.2592	0.875
Ti3_2	Ti	0.25	0.7592	0.125
Fe3_1	Fe	0.25	0.2592	0.875
Fe3_2	Fe	0.25	0.7592	0.125
Se1_1	Se	0.4156	0.7466	0.1897
Se1_2	Se	0.5844	0.7466	0.8104
Se2_1	Se	0.332	0	0.3123
Se2_2	Se	0.668	0	0.6877
Se3_1	Se	0.1649	0	0.1908
Se3_2	Se	0.8351	0	0.8093

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

⬇ 1.270_Fe0.25TiSe2.mcif from MAGNDATA · entry page

sha256 of this copy: f5c3f2a4cc4b88ac5f0e886d42d7c8639219e58553f99b2d60b587fe16ef8af6
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.270_Fe0.25TiSe2.mcif.