Research/Sitter/MAGNDATA / 2.61_Fe3F8(H2O)2.mcif

Fe₃F₈(H₂O)₂

MAGNDATA entry 2.61 · source

noncoplanar magnet

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

ordered ≤ 35 K (−238 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	C 2′/m′ BNS 12.62
Parent space group	C 2/m No. 12
Spins	noncoplanar · net moment 0 μ_B per cell
Propagation	[0 0 0] · [0 1 1/2] 2k
Cell	a 7.543 · b 7.4314 · c 14.773 Å · α 90° · β 117.26° · γ 90°
Transition	35 K (−238 °C)
Measured at	2 K
Magnetic ions	Fe
Largest moment component	4.2 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 C 2′/m′ →

Atom sites · 13 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Fe1_1	Fe	0.25	0.25	0.25	1.65	4.03	0.43	4.301
Fe1_2	Fe	0.75	0.25	0.25	−1.65	−4.03	−0.43	4.301
Fe2_1	Fe	0	0.5	0	4.2	0	3.23	3.9555
Fe2_2	Fe	0.5	0	0	−4.2	0	−3.23	3.9555
F1	F	0	0.2992	0.25
F2_1	F	0.1781	0	0.2197
F2_2	F	0.6781	0.5	0.2197
F3_1	F	0.1336	0.2962	0.1063
F3_2	F	0.6336	0.7962	0.1063
O1_1	O	0.247	0	0.0278
O1_2	O	0.747	0.5	0.0278
H1_1	H	0.209	0.1002	0.054
H1_2	H	0.709	0.6002	0.054

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

M. Leblanc et al. Journal of Magnetism and Magnetic Materials (1991) · doi:10.1016/0304-8853(91)90849-6

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 2.61_Fe3F8(H2O)2.mcif from MAGNDATA · entry page

sha256 of this copy: 55e73ce3f661259c81ba7f3d51ad34f0feedcf295b823fc9ea1cf2ce5fef8641
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 2.61_Fe3F8(H2O)2.mcif.