Research/Sitter/MAGNDATA / 1.210_FePSe3.mcif

FePSe₃

MAGNDATA entry 1.210 · 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 ¹1̄ × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 119 K (−154 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	P_S1 BNS 2.7
Parent space group	R 3 No. 148
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1/2 0 1/2] 1k
Cell	a 12.524 · b 6.262 · c 39.61 Å · α 90° · β 90° · γ 120°
Transition	119 K (−154 °C)
Measured at	15 K
Magnetic ions	Fe
Largest moment component	4.9 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 P_S1 →

Atom sites · 5 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Fe1	Fe	0	0	0.0833	0	0	4.9	4.9
P1	P	0	0	0.2243
Se1_1	Se	0.1641	0.0073	0.0401
Se1_2	Se	0.9963	0.3209	0.0401
Se1_3	Se	0.8396	0.6718	0.0401

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

A. Wiedenmann et al. Solid State Communications (1981) · doi:10.1016/0038-1098(81)90253-2

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.210_FePSe3.mcif from MAGNDATA · entry page

sha256 of this copy: 546f1d0a84328c507006dde0b72e6bf0c00aacfa051c73249439d420789d36f4
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.210_FePSe3.mcif.