Research/Sitter/MAGNDATA / 0.503_K1.62Fe4O6.62(OH)0.38.mcif

K_1.62Fe₄O_6.62(OH)_0.38

MAGNDATA entry 0.503 · source

altermagnet

No net magnetisation, yet the electron bands are spin-split: the up and down spin sublattices are related only by a rotation or mirror, never by a shift or inversion.

Spin group ¹3̄²m: each symmetry marked ¹ keeps every spin, ² swaps up and down.

Structure · 9 properties

Magnetic group	P 3 1 c BNS 163.79
Parent space group	P 3 1 c No. 163
Spins	collinear · 3 nodal planes · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 5.1714 · b 5.1714 · c 13.885 Å · α 90° · β 90° · γ 120°
Measured at	4 K
Magnetic ions	Fe
Largest moment component	4.18 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 3 1 c →

Atom sites · 6 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Fe1	Fe	0.3333	0.6667	0	0	0	−4.18	4.18
Fe2	Fe	0	0	0.118	0	0	3.97	3.97
K1	K	0.6667	0.3333	0.25
K2	K	0.3333	0.6667	0.25
O1	O	0	0	0.25
O2	O	0.005	0.3513	0.0805

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

R. Albrecht et al. ChemistryOpen (2019) · doi:10.1002/open.201800229

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.503_K1.62Fe4O6.62(OH)0.38.mcif from MAGNDATA · entry page

sha256 of this copy: 84731899375bfb64b705e44ee665efecca89081b033d70217adc66bcf3d6ed81
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.503_K1.62Fe4O6.62(OH)0.38.mcif.