Research/Sitter/MAGNDATA / 0.575_ZnFeF5(H2O)2.mcif

ZnFeF₅(H₂O)₂

MAGNDATA entry 0.575 · 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 ²m¹m²m: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 9 K (−264 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	I m m 2 BNS 44.229
Parent space group	I m m 2 No. 44
Spins	collinear · 2 nodal planes · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 7.451 · b 10.747 · c 6.524 Å · α 90° · β 90° · γ 90°
Transition	9 K (−264 °C)
Measured at	1.5 K
Magnetic ions	Fe
Largest moment component	3.78 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 I m m 2 →

Atom sites · 10 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Zn1	Zn	0	0.25	0.75
Fe1	Fe	0.25	0	0	0	3.78	0	3.78
F1	F	0.274	0.872	0.222
F2	F	0.687	0.624	0.316
F3	F	0	0	0.065
F4	F	0	0.5	0.401
O1	O	0	0.807	0.468
O2	O	0	0.683	0.066
H1	H	0.12	0.843	0.389
H2	H	0.908	0.669	0.131

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

Y. Laligant et al. JOURNAL OF SOLID STATE CHEMISTRY (1987) · doi:10.1016/0022-4596(87)90193-9

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.575_ZnFeF5(H2O)2.mcif from MAGNDATA · entry page

sha256 of this copy: 43c5327bef55d675ffab78411bf33f0f0d40b1667b087b2100415be1c2b3967e
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.575_ZnFeF5(H2O)2.mcif.