Research/Sitter/MAGNDATA / 0.299_Fe2O3.mcif

Fe₂O₃

MAGNDATA entry 0.299 · source

s-wave compensated ferrimagnet

Opposite moments cancel, but the two sublattices aren't related by any symmetry, so the bands split like a ferromagnet's (s-wave).

Spin group ¹m¹m¹m: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 850 K (577 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	P n a′ 2₁′ BNS 33.147
Parent space group	P n a 2₁ No. 33
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 5.0967 · b 8.7953 · c 9.477 Å · α 90° · β 90° · γ 90°
Transition	850 K (577 °C)
Measured at	510 K
Magnetic ions	Fe
Largest moment component	3.1 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 a′ 2₁′ →

Atom sites · 10 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Fe1	Fe	0.1928	0.1499	0.5813	3.1	0	0	3.1
Fe2	Fe	0.6823	0.0314	0.7918	−3.1	0	0	3.1
Fe3	Fe	0.8105	0.1583	0.3079	−0.9	0	0	0.9
Fe4	Fe	0.1819	0.1542	0	0.9	0	0	0.9
O1	O	0.9739	0.3281	0.4345
O2	O	0.503	0.4907	0.4227
O3	O	0.6533	0.999	0.1859
O4	O	0.1614	0.1608	0.1959
O5	O	0.845	0.1669	0.6698
O6	O	0.5386	0.1654	0.9366

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

J.L. Garcia-Munoz et al. Chem. Mater. (2017) · doi:10.1021/acs.chemmater.7b03417

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.299_Fe2O3.mcif from MAGNDATA · entry page

sha256 of this copy: e26f23c5ee2a3a1e35b0eaa5f9e531b6af0d71d9e3d77e0b2b2977d2e0790e31
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.299_Fe2O3.mcif.