Research/Sitter/MAGNDATA / 0.1167_FeOOH.mcif

FeHO₂

MAGNDATA entry 0.1167 · source

antiferromagnet

No net magnetisation, and up and down sublattices are related by a shift or by inversion, so the bands stay spin-degenerate: a conventional antiferromagnet.

Spin group ¹m¹m¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 382 K (109 °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 62.445
Point group	m′mm
Parent space group	P n m a No. 62
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 9.93455 · b 3.01209 · c 4.59219 Å · α 90° · β 90° · γ 90°
Transition	382 K (109 °C)
Measured at	64.8 K
Magnetic ions	Fe
Largest moment component	3.64 μ_B
Method	NPD. Rietveld refinements were performed using the FullProf Suite.

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 · 4 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Fe1	Fe	0.8527	0.25	0.0499	0	3.64	0	3.64
O1	O	0.2015	0.25	0.7028
O2	O	0.0521	0.25	0.2027
H1	H	0.0831	0.25	0.4117

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

Yusuke Nambu et al. Dalton Trans. (2026) · doi:10.1039/d5dt00217f

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.1167_FeOOH.mcif from MAGNDATA · entry page

sha256 of this copy: a19ff745ecd4bf8df8328f0d32fa3aa2c4f5bd2a175f9acbbbf00404d8ea0b0a
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.1167_FeOOH.mcif.

FeHO2

Symmetry

Source

Original file

FeHO₂