Research/Sitter/MAGNDATA / 1.157_FeF3(H2O)2H2O.mcif

FeF₃(H₂O)₂H₂O

MAGNDATA entry 1.157 · 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 ¹4/¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 20 K (−253 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P_b 2₁/c BNS 14.81
Point group	2/m1′
Parent space group	P 4/n No. 85
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 0 1/2] 1k
Cell	a 7.80949 · b 7.80949 · c 7.753338 Å · α 90° · β 90° · γ 90°
Transition	20 K (−253 °C)
Measured at	1.8 K
Magnetic ions	Fe
Largest moment component	3.23 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_b 2₁/c →

Atom sites · 13 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Fe1	Fe	0.25	0.25	0.4259	3.23	0	0	3.23
F1	F	0.25	0.25	0.1764
O11	O	0.25	0.75	0.25
O1_1	O	0.8527	0.9769	0.0707
O1_2	O	0.5231	0.8527	0.0707
F2_1	F	0.8527	0.9769	0.0707
F2_2	F	0.5231	0.8527	0.0707
H11_1	H	0.1777	0.9204	0.3645
H11_2	H	0.5796	0.1777	0.3645
H1_1	H	0.3481	0.784	0.18
H1_2	H	0.716	0.3481	0.18
H2_1	H	0.0315	0	0
H2_2	H	0.5	0.0315	0

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. Nenert et al. Dalton Trans. (2015) · doi:10.1039/c5dt02242h

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.157_FeF3(H2O)2H2O.mcif from MAGNDATA · entry page

sha256 of this copy: 5e610683f033d9070cbbf146954f402e47e142f5678a8d6c66edb8c962f3ecd1
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.157_FeF3(H2O)2H2O.mcif.