Research/Sitter/MAGNDATA / 0.300_Fe2O3.mcif

Fe₂O₃

MAGNDATA entry 0.300 · 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 ≤ 500 K (227 °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 0.8 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	500 K (227 °C)
Measured at	300 K
Magnetic ions	Fe
Largest moment component	3.6 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	0.1947	0.1497	0.5806	3.6	0	0	3.6
Fe2	Fe	0.6828	0.0323	0.7921	−3.6	0	0	3.6
Fe3	Fe	0.8083	0.1592	0.3062	−2.5	0	0	2.5
Fe4	Fe	0.1816	0.1538	0	2.7	0	0	2.7
O1	O	0.9754	0.3276	0.434
O2	O	0.5112	0.4933	0.4187
O3	O	0.6537	0.0011	0.1895
O4	O	0.1624	0.1622	0.1956
O5	O	0.8449	0.1657	0.668
O6	O	0.5286	0.159	0.9375

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

⬇ 0.300_Fe2O3.mcif from MAGNDATA · entry page

sha256 of this copy: 1ca90373cad2cd456c8bf64583ae590613478dfd14f45951156c4b3fa7c690d2
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.300_Fe2O3.mcif.