Research/Sitter/MAGNDATA / 0.459_KFeO2.mcif

KFeO₂

MAGNDATA entry 0.459 · 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 ≤ 1001 K (728 °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 61.435
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 5.6002 · b 11.2602 · c 15.9414 Å · α 90° · β 90° · γ 90°
Transition	1001 K (728 °C)
Measured at	320 K
Magnetic ions	Fe
Largest moment component	3.79 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)
K1	K	0.745	0.5095	0.4357
K2	K	0.3039	0.237	0.684
Fe1	Fe	0.7537	0.0084	0.1884	0	3.79	0	3.79
Fe2	Fe	0.7842	0.2352	0.5648	0	−3.79	0	3.79
O1	O	0.4325	0.9805	0.2179
O2	O	0.8411	0.9082	0.1008
O3	O	0.7985	0.1649	0.1573
O4	O	0.5774	0.2934	0.4804

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

⬇ 0.459_KFeO2.mcif from MAGNDATA · entry page

sha256 of this copy: 78d7afe81a500a14ccb5f0a10b80006007185afbe9fe92c7bb2c7107fed8c3d0
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.459_KFeO2.mcif.