Research/Sitter/MAGNDATA / 2.119_Fe2SiSe4.mcif

Fe₂SiSe₄

MAGNDATA entry 2.119 · source

noncoplanar magnet

Spins pointing in three dimensions, not confined to a plane.

ordered ≤ 50 K (−223 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P m n 211 BNS 31.123
Point group	mm21
Parent space group	P n m a No. 62
Spins	noncoplanar · net moment 0 μ_B per cell
Propagation	[0 0 0] · [0 1/2 0] 2k
Cell	a 13.02 · b 15.088 · c 6.119 Å · α 90° · β 90° · γ 90°
Transition	50 K (−223 °C)
Measured at	3.5 K
Magnetic ions	Fe
Largest moment component	4.21 μ_B
Method	NPD. Rietveld refinements were performed with the FULLPROF SUITE and representation analysis with SARAh.

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 m n 211 →

Atom sites · 18 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Fe1_1	Fe	0	0	0	1.72	4.21	0	4.5478
Fe1_2	Fe	0	0.5	0	−0.83	−0.01	0	0.8301
Fe2_1	Fe	0.231	0.125	0.5126	−2.51	−4.15	−1.14	4.9822
Fe2_2	Fe	0.769	0.375	0.4874	0	−4.12	0	4.12
Fe2_3	Fe	0.769	0.875	0.4874	0	−4.18	0	4.18
Si1_1	Si	0.4074	0.125	0.0734
Si1_2	Si	0.0926	0.375	0.5734
Si1_3	Si	0.0926	0.875	0.5734
Se1_1	Se	0.4082	0.125	0.7239
Se1_2	Se	0.0918	0.375	0.2239
Se1_3	Se	0.0918	0.875	0.2239
Se2_1	Se	0.5714	0.125	0.2399
Se2_2	Se	0.9286	0.375	0.7399
Se2_3	Se	0.9286	0.875	0.7399
Se3_1	Se	0.3332	0.008	0.2481
Se3_2	Se	0.3332	0.508	0.2481
Se3_3	Se	0.1668	0.492	0.7481
Se3_4	Se	0.1668	0.992	0.7481

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

Feihao Pan et al. Phys. Rev. B (2023) · doi:10.1103/PhysRevB.107.224423

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 2.119_Fe2SiSe4.mcif from MAGNDATA · entry page

sha256 of this copy: 986a0c4cfb0b04d1cd4a68fc9543dc29c8083321d7302c11e7d4bcd0e184e2e2
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 2.119_Fe2SiSe4.mcif.