Research/Sitter/MAGNDATA / 0.460_KFeO2.mcif

KFeO₂

MAGNDATA entry 0.460 · 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 ≤ 960 K (687 °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 5.6 · b 11.249 · c 15.914 Å · α 90° · β 90° · γ 90°
Transition	960 K (687 °C)
Measured at	300 K
Magnetic ions	Fe
Largest moment component	3.81 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	0.769	0.004	0.074
K2	K	0.811	0.26	0.185
Fe1	Fe	0.249	0.008	0.184	−3.81	0	0	3.81
Fe2	Fe	0.28	0.261	0.064	3.81	0	0	3.81
O1	O	0.583	0.291	0.022
O2	O	0.166	0.41	0.099
O3	O	0.287	0.171	0.158
O4	O	0.089	0.481	0.282

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

Z. Tomkowicz et al. J. Phys. Chem. Solids (1977) · doi:10.1016/0022-3697(77)90037-3

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.460_KFeO2.mcif from MAGNDATA · entry page

sha256 of this copy: 8ec496dd7c02823ababb4c8cc6b16e00d128fcdb0b21c682f3b29e8894be03e9
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.460_KFeO2.mcif.