Research/Sitter/MAGNDATA / 0.335_FeF3.mcif

FeF₃

MAGNDATA entry 0.335 · 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 · 8 properties

Magnetic group	C 2′/c′ BNS 15.89
Parent space group	R 3 c No. 167
Spins	collinear · 3 nodal planes · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 5.203 · b 5.203 · c 13.3361 Å · α 90° · β 90° · γ 120°
Magnetic ions	Fe
Largest moment component	2.6 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 C 2′/c′ →

Atom sites · 3 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Fe1	Fe	0	0	0	2.6	0	0	2.6
F1_1	F	0.5854	0	0.25
F1_2	F	0	0.5854	0.25

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

S. Lee et al. Physica B: Physics of Condensed Matter (2018) · doi:10.1016/j.physb.2017.11.082

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.335_FeF3.mcif from MAGNDATA · entry page

sha256 of this copy: 2acb72d91f418593be8254d513794bc983bb5799b3a2a80c7376a7d06140e9fa
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.335_FeF3.mcif.