Research/Sitter/MAGNDATA / 0.458_CsFeO2.mcif

CsFeO₂

MAGNDATA entry 0.458 · 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 ¹m¹3̄¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 1055 K (782 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	I 4₁′/a′ m′ d BNS 141.556
Parent space group	F d 3 m No. 227
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 8.411 · b 8.411 · c 8.411 Å · α 90° · β 90° · γ 90°
Transition	1055 K (782 °C)
Measured at	400 K
Magnetic ions	Fe
Largest moment component	3.7 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 I 4₁′/a′ m′ d →

Atom sites · 9 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Cs1	Cs	0.375	0.375	0.375
Fe1	Fe	0.125	0.125	0.125	0	0	3.7	3.7
O1_1	O	0	0.0324	0.9676
O1_2	O	0.0324	0.9676	0
O2_1	O	0.9813	0.9813	0.0374
O2_2	O	0.0374	0.9813	0.9813
O3_1	O	0.9736	0.9903	0.0361
O3_2	O	0.0361	0.9736	0.9903
O3_3	O	0.9903	0.0361	0.9736

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

⬇ 0.458_CsFeO2.mcif from MAGNDATA · entry page

sha256 of this copy: 2809c807a12317d2975b4c0b99887f363cac6086c06babdefe1ee81c831785b6
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.458_CsFeO2.mcif.