Research/Sitter/MAGNDATA / 1.731_Cu2FeSiS4.mcif

Cu₂Fe₁Si₁S₄

MAGNDATA entry 1.731 · source

p-wave magnet

Coplanar spins, no net moment, and a translation that reverses every spin: spin splitting that is odd in momentum (p-wave).

ordered ≤ 14 K (−259 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	C_a c BNS 9.41
Point group	m1′
Parent space group	P m n 2₁ No. 31
Spins	coplanar · net moment 0 μ_B per cell
Propagation	[1/2 1/2 1/2] 1k
Cell	a 14.823 · b 12.7931 · c 12.2702 Å · α 90° · β 90° · γ 90°
Transition	14 K (−259 °C)
Measured at	2 K
Magnetic ions	Fe
Largest moment component	2.85 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_a c →

Atom sites · 8 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Cu1_1	Cu	0.1238	0.1628	0.006
Cu1_2	Cu	0.1262	0.8371	0.256
Fe1	Fe	0	0.0774	0.2495	2.85	0.7	0.5	2.977
Si1	Si	0	0.415	0
S1	S	0	0.408	0.1745
S2	S	0	0.0705	0.4415
S3_1	S	0.1326	0.1645	0.194
S3_2	S	0.1174	0.8355	0.444

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

Z. T. Messegee et al. Inorganic Chemistry (2023) · doi:10.1021/acs.inorgchem.2c03754

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.731_Cu2FeSiS4.mcif from MAGNDATA · entry page

sha256 of this copy: 75883e59f05756961721e638b70e84c266463fba1339d95bda7b15ed3ad988b4
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.731_Cu2FeSiS4.mcif.

Cu2Fe1Si1S4

Symmetry

Source

Original file

Cu₂Fe₁Si₁S₄