Research/Sitter/MAGNDATA / 0.457_CsFeO2.mcif

CsFeO₂

MAGNDATA entry 0.457 · 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 ≤ 350 K (77 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	P b′ c′ a′ BNS 61.437
Parent space group	P b c a No. 61
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 5.9167 · b 11.886 · c 16.7792 Å · α 90° · β 90° · γ 90°
Transition	350 K (77 °C)
Measured at	306 K
Magnetic ions	Fe
Largest moment component	3.8 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 b′ c′ a′ →

Atom sites · 8 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Cs1	Cs	0.747	0.5023	0.4374
Cs2	Cs	0.2888	0.2452	0.687
Fe1	Fe	0.7513	0.0022	0.1884	0	0	3.8	3.8
Fe2	Fe	0.7726	0.2459	0.5636	0	0	−3.8	3.8
O1	O	0.4628	0.9907	0.2317
O2	O	0.7924	0.888	0.1146
O3	O	0.7832	0.1389	0.1377
O4	O	0.5569	0.2711	0.4841

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. Sheptyakov et al. J. Phys.: Condens. Matter (2010) · doi:10.1088/0953-8984/22/42/426001

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.457_CsFeO2.mcif from MAGNDATA · entry page

sha256 of this copy: 884440718410a4c841dc0475040ab77c5176b7a300e269dc01920c682f482f6b
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.457_CsFeO2.mcif.