Research/Sitter/MAGNDATA / 0.358_CaFe5O7.mcif

CaFe₅O₇

MAGNDATA entry 0.358 · 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 ²2/²m: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 125 K (−148 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	P 2₁′/m′ BNS 11.54
Parent space group	P 2₁/m No. 11
Spins	collinear · 1 nodal planes · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 3.0454 · b 17.9659 · c 5.2482 Å · α 90° · β 107.01° · γ 90°
Transition	125 K (−148 °C)
Measured at	5 K
Magnetic ions	Fe
Largest moment component	3.9 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 2₁′/m′ →

Atom sites · 8 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ca1	Ca	0.784	0.25	0.5715
Fe1	Fe	0.2742	0.4248	0.548	0	−3.8	0	3.8
Fe2	Fe	0.4704	0.6537	0.9257	0	3.9	0	3.9
Fe3	Fe	0	0.5	0	0	3.5	0	3.5
O1	O	0.652	0.25	0.9144
O2	O	0.9051	0.1065	0.8243
O3	O	0.6607	0.0318	0.2836
O4	O	0.181	0.1682	0.35

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

C. Delacotte et al. Journal of Solid State Chemistry (2017) · doi:10.1016/j.jssc.2016.12.021

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.358_CaFe5O7.mcif from MAGNDATA · entry page

sha256 of this copy: 2cef61d35d975e023f947eae90c05267c8a6550fe1db98533a7bb048252b1241
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.358_CaFe5O7.mcif.