Research/Sitter/MAGNDATA / 1.26_CsFe2Se3.mcif

CsFe₂Se₃

MAGNDATA entry 1.26 · 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 ≤ 175 K (−98 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P_c 2₁/c BNS 14.82
Point group	2/m1′
Parent space group	C m c m No. 63
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1/2 1/2 0] 1k
Cell	a 19.668 · b 23.656 · c 5.673 Å · α 90° · β 90° · γ 90°
Transition	175 K (−98 °C)
Measured at	3 K
Magnetic ions	Fe
Largest moment component	1.77 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_c 2₁/c →

Atom sites · 5 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Cs1	Cs	0.25	0.0809	0.25
Fe1	Fe	0.18	0.25	0	0	0	−1.77	1.77
Se1	Se	0	0.0612	0.25
Se2_1	Se	0.1136	0.1941	0.25
Se2_2	Se	−0.1136	0.1941	0.25

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

F. Du et al. PHYSICAL REVIEW B (2012) · doi:10.1103/physrevb.85.214436

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.26_CsFe2Se3.mcif from MAGNDATA · entry page

sha256 of this copy: ccf8291cb223974158016830a728a874dcc47af56e7cbfa1913fa7adba7ccf5b
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.26_CsFe2Se3.mcif.