Research/Sitter/MAGNDATA / 0.399_FeOOH.mcif

FeOOH

MAGNDATA entry 0.399 · 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.

Structure · 8 properties

Magnetic group	P n m a′ BNS 62.445
Parent space group	P b n m No. 62
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 4.5975 · b 9.9412 · c 3.0133 Å · α 90° · β 90° · γ 90°
Magnetic ions	Fe
Largest moment component	4.45 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 m a′ →

Atom sites · 4 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Fe1	Fe	0.5483	0.6462	0.75	0	0	4.45	4.45
O1	O	0.2057	0.2997	0.75
O2	O	0.7013	0.4466	0.75
H1	H	0.9024	0.4177	0.75

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

E. Zepeda-Alarcon et al. J. Appl. Cryst. (2014) · doi:10.1107/S1600576714022651

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.399_FeOOH.mcif from MAGNDATA · entry page

sha256 of this copy: a45aa5bf76061b2c926822ff479f7a556d1163fe9ef6f2ef32ccbeb8d1ad3e11
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.399_FeOOH.mcif.