Research/Sitter/MAGNDATA / 0.57_ScFeO3.mcif

ScFeO₃

MAGNDATA entry 0.57 · 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.

ordered ≤ 360 K (87 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	C c′ BNS 9.39
Point group	m′
Parent space group	R 3c No. 161
Spins	collinear · 3 nodal planes · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 5.2025 · b 5.2025 · c 14.0145 Å · α 90° · β 90° · γ 120°
Transition	360 K (87 °C)
Measured at	300 K
Magnetic ions	Fe
Largest moment component	2.72 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 c′ →

Atom sites · 7 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
O1_1	O	0.3423	0.9739	0.8176
O1_2	O	0.0261	0.3684	0.8176
O1_3	O	0.6316	0.6577	0.8176
Fe1	Fe	0	0	0.2579	2.72	0	0	2.72
Fe2	Fe	0	0	0.0477	−2.72	0	0	2.72
Sc1	Sc	0	0	0.0477
Sc2	Sc	0	0	0.2579

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

M.-R. Li et al. J. Am. Chem. Soc. (2012) · doi:10.1021/ja208395z

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.57_ScFeO3.mcif from MAGNDATA · entry page

sha256 of this copy: 9459087e007046f6732d06d549d0314b88664553f2cb0aeb55740772fa00c99b
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.57_ScFeO3.mcif.