Research/Sitter/MAGNDATA / 1.463_Sr2Fe3Se2O3.mcif

Sr₂Fe₃Se₂O₃

MAGNDATA entry 1.463 · 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 ¹m¹m¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 92 K (−181 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	C_a m c 2₁ BNS 36.178
Parent space group	P b a m No. 55
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1/2 0 1/2] 1k
Cell	a 15.5926 · b 10.2008 · c 7.979 Å · α 90° · β 90° · γ 90°
Transition	92 K (−181 °C)
Measured at	55 K
Magnetic ions	Fe
Largest moment component	3.01 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 m c 2₁ →

Atom sites · 10 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Sr1_1	Sr	0.0445	0.3519	0.75
Sr1_2	Sr	0.9556	0.6481	0.75
Fe1	Fe	0	0	0.75
Fe2_1	Fe	0.1285	0.0893	0	0	0	3.01	3.01
Fe2_2	Fe	0.8716	0.9107	0	0	0	3.01	3.01
Se1_1	Se	0.2	0.3327	0
Se1_2	Se	0.8	0.6673	0
O1	O	0	0.5	0
O2_1	O	0.1139	0.0862	0.75
O2_2	O	0.8861	0.9138	0.75

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

S.J. Cassidy et al. Inorg. Chem. (2018) · doi:10.1021/acs.inorgchem.8b01542

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.463_Sr2Fe3Se2O3.mcif from MAGNDATA · entry page

sha256 of this copy: d99fa3692b09d7bc8fd70082d08b49a4adee379ed5b144ee6853e7062222ee9b
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.463_Sr2Fe3Se2O3.mcif.