Research/Sitter/MAGNDATA / 0.476_Cs2[FeCl5(H2O)].mcif

Cs₂[FeCl₅(H₂O)]

MAGNDATA entry 0.476 · 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 ¹2/¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 6.4 K (−267 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	C 2′/c BNS 15.87
Parent space group	I 2/c No. 15
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 17.1206 · b 7.3619 · c 16.086 Å · α 90° · β 90° · γ 90°
Transition	6.35 K (−267 °C)
Measured at	1.6 K
Magnetic ions	Fe
Largest moment component	4.1 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′/c →

Atom sites · 9 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Cs1	Cs	0.9713	0.5218	0.8749
Cs2	Cs	0.7437	0.4892	0.1238
Fe1	Fe	0.8783	0.9944	0.6256	0	4.1	0	4.1
Cl1	Cl	0.7449	0.005	0.624
Cl2	Cl	0.8836	0.7684	0.7253
Cl3	Cl	0.8916	0.2196	0.7351
Cl4	Cl	0.8879	0.2419	0.5276
Cl5	Cl	0.8909	0.7897	0.5141
O1	O	0.0053	0.987	0.6254

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

T. Frohlich et al. J. Phys.: Condens. Matter (2018) · doi:10.1088/1361-648X/aaca6c

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.476_Cs2[FeCl5(H2O)].mcif from MAGNDATA · entry page

sha256 of this copy: 7baafd9dfdedee05993b90305792dcacdc0a492007bbaaa22c49387e7471a3bc
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.476_Cs2[FeCl5(H2O)].mcif.