Research/Sitter/MAGNDATA / 1.0.19_Cs2CoU3F16.mcif

Cs₂CoU₃F₁₆

MAGNDATA entry 1.0.19 · source

s-wave ferrimagnet

Opposite moments of different size leave a net magnetisation.

Spin group ¹6/¹m¹m¹m: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 3.5 K (−270 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	P 6₃/m c′ m′ BNS 193.260
Parent space group	P 6₃/m m c No. 194
Spins	collinear · net moment 6.18 μ_B per cell
Propagation	[1/3 1/3 0] · [0 0 0] 1k
Cell	a 23.9673 · b 23.9673 · c 13.006 Å · α 90° · β 90° · γ 120°
Transition	3.5 K (−270 °C)
Measured at	1.5 K
Magnetic ions	Co, U
Largest moment component	1.7 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 6₃/m c′ m′ →

Atom sites · 13 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
U1_1	U	0.2767	0.5533	0.25	0	0	−0.91	0.91
U1_2	U	0.2767	0.8867	0.25	0	0	0.91	0.91
Cs1	Cs	0.1111	0.2222	0.059
F1_1	F	0.0585	0.117	0.25
F1_2	F	0.0585	0.4503	0.25
F2_1	F	0	0	0.25
F2_2	F	0	0.3333	0.25
F3_1	F	0.2932	0.5863	0.4114
F3_2	F	0.2932	0.9197	0.4114
F4_1	F	0.1841	0.3683	0.1563
F4_2	F	0.1841	0.7016	0.1563
Co1_1	Co	0	0	0	0	0	1.7	1.7
Co1_2	Co	0	0.3333	0	0	0	−1.7	1.7

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

V.V. Klepov et al. J. Am. Chem. Soc. (2019) · doi:10.1021/jacs.9b00345

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.0.19_Cs2CoU3F16.mcif from MAGNDATA · entry page

sha256 of this copy: bd8b4b6877cc11f994fd217cd75b391c99de355477369b79f4da5f4b4279035d
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.0.19_Cs2CoU3F16.mcif.