Research/Sitter/MAGNDATA / 0.55_KyFe2-xSe2.mcif

KyFe_2−xSe₂

MAGNDATA entry 0.55 · 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 ¹4/¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 560 K (287 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	I 4/m′ BNS 87.78
Point group	4/m′
Parent space group	I 4/m No. 87
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 8.7302 · b 8.7302 · c 14.1149 Å · α 90° · β 90° · γ 90°
Transition	560 K (287 °C)
Measured at	300 K
Magnetic ions	Fe
Largest moment component	2.55 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 I 4/m′ →

Atom sites · 6 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
K1	K	0	0	0
K2	K	0.374	0.816	0
Fe1	Fe	0	0.5	0.25
Fe2	Fe	0.2953	0.591	0.2495	0	0	2.55	2.55
Se1	Se	0.3867	0.795	0.6448
Se2	Se	0	0	0.642

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

V.Y. Pomjakushin et al. J. Phys.: Condens. Matter (2011) · doi:10.1088/0953-8984/23/15/156003

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.55_KyFe2-xSe2.mcif from MAGNDATA · entry page

sha256 of this copy: c82cf6ca89986fbf41dbf087952796ceaf4f42d09e492e00e2a40715c4e6da03
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.55_KyFe2-xSe2.mcif.

KyFe2−xSe2

Symmetry

Source

Original file

KyFe_2−xSe₂