Research/Sitter/MAGNDATA / 1.58_La2O2Fe2OSe2.mcif

La₂O₂Fe₂OSe₂

MAGNDATA entry 1.58 · 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 ≤ 90 K (−183 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	C_c c BNS 9.40
Point group	m1′
Parent space group	I 4/m m m No. 139
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1/2 0 1/2] 1k
Cell	a 8.1515 · b 4.0757 · c 37.0744 Å · α 90° · β 90° · γ 90°
Transition	90 K (−183 °C)
Measured at	12 K
Magnetic ions	Fe
Largest moment component	2.83 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_c c →

Atom sites · 9 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Fe1_1	Fe	0	0.5	0	2.83	0	0	2.83
Fe1_2	Fe	0.25	0	0	2.83	0	0	2.83
O1_1	O	0	0.5	0.125
O1_2	O	0.25	0	0.125
O2	O	0	0	0.25
La1_1	La	0	0	0.342
La1_2	La	0	0	0.658
Se1_1	Se	0	0	0.0481
Se1_2	Se	0	0	0.9519

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

D.G. Free et al. PHYSICAL REVIEW B (2010) · doi:10.1103/physrevb.81.214433

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.58_La2O2Fe2OSe2.mcif from MAGNDATA · entry page

sha256 of this copy: b9a0cb4405b38bed5a8662d6d1f06515ae362cbda8ba2312d574275882ca26bf
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.58_La2O2Fe2OSe2.mcif.