Research/Sitter/MAGNDATA / 0.168_NH4Fe2F6.mcif

NH₄Fe₂F₆

MAGNDATA entry 0.168 · source

noncoplanar magnet

Spins pointing in three dimensions, not confined to a plane.

ordered ≤ 19 K (−254 °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 62.441
Point group	mmm
Parent space group	P n m a No. 62
Spins	noncoplanar · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 7.021 · b 7.441 · c 10.007 Å · α 90° · β 90° · γ 90°
Transition	19 K (−254 °C)
Measured at	4.2 K
Magnetic ions	Fe
Largest moment component	3.86 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 · 10 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
N1	N	−0.0046	0.25	0.6174
H1	H	−0.0324	0.25	0.5308
H2	H	0.1337	0.25	0.6018
H3	H	−0.0468	0.1498	0.6598
Fe1	Fe	0	0	0	3.86	1	1.07	4.1285
Fe2	Fe	0.1975	0.25	0.2682	0	3.12	0	3.12
F1	F	0.9448	0.25	0.3385
F2	F	0.0627	0.25	0.976
F3	F	0.1246	0.4882	0.1692
F4	F	0.7665	0.4405	0.0832

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

G. Ferey et al. Solid State Communications (1985) · doi:10.1016/0038-1098(85)90192-9

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.168_NH4Fe2F6.mcif from MAGNDATA · entry page

sha256 of this copy: c37df0186f10dffbec3bdf0d5fb501f62ac6c61b85caad101df2b419e18d9a2c
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.168_NH4Fe2F6.mcif.