Research/Sitter/MAGNDATA / 0.68_BiFe0.5Sc0.5O3.mcif

BiFe_0.5Sc_0.5O₃

MAGNDATA entry 0.68 · source

d-wave 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. d-wave: the splitting changes sign twice around the Fermi surface (2 nodal planes).

Spin group ¹m²m²m: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 220 K (−53 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P n′ m′ a BNS 62.446
Point group	m′m′m
Parent space group	P n m a No. 62
Spins	collinear · 2 nodal planes · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 5.6932 · b 15.9039 · c 11.4511 Å · α 90° · β 90° · γ 90°
Transition	220 K (−53 °C)
Measured at	1.5 K
Magnetic ions	Fe, Sc
Largest moment component	2.1 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 n′ m′ a →

Atom sites · 14 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Bi1	Bi	0.3101	0.0105	0.133
Bi2	Bi	0.3014	0.25	0.1118
Bi3	Bi	0.2182	0.25	0.6349
Fe1	Fe	0.7645	0.8682	0.1224	0	−2.1	0	2.1
Sc1	Sc	0.7645	0.8682	0.1224	0	−2.1	0	2.1
Fe2	Fe	0.7559	0.3783	0.1245	0	−2.1	0	2.1
Sc2	Sc	0.7559	0.3783	0.1245	0	−2.1	0	2.1
O1	O	−0.0406	0.8724	−0.0145
O2	O	−0.0009	0.8444	0.5014
O3	O	0.5668	0.8984	0.7795
O4	O	0.5299	0.3988	0.7598
O5	O	0.6981	−0.002	0.0758
O6	O	0.7185	0.25	0.1568
O7	O	0.8248	0.25	0.6591

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.D. Khalyavin et al. PHYSICAL REVIEW B (2014) · doi:10.1103/PhysRevB.89.174414

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.68_BiFe0.5Sc0.5O3.mcif from MAGNDATA · entry page

sha256 of this copy: 265c8da5e2fedbd4abeef5b0f752e8b14176f7c938ff5a5c224f310af690738b
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.68_BiFe0.5Sc0.5O3.mcif.