Research/Sitter/MAGNDATA / 1.0.20_Cs2NiU3F16.mcif

Cs₂NiU₃F₁₆

MAGNDATA entry 1.0.20 · 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 ≤ 4.8 K (−268 °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 7.74 μ_B per cell
Propagation	[1/3 1/3 0] · [0 0 0] 1k
Cell	a 23.9334 · b 23.9334 · c 12.9039 Å · α 90° · β 90° · γ 120°
Transition	4.8 K (−268 °C)
Measured at	1.5 K
Magnetic ions	Ni, U
Largest moment component	1.53 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 · 14 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
U1_1	U	0.2767	0.5534	0.25	0	0	−0.94	0.94
U1_2	U	0.2767	0.8868	0.25	0	0	0.94	0.94
Cs1	Cs	0.1111	0.2222	0.0596
F1_1	F	0.0585	0.1169	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	0.0794	0.0397	0.4127
F3_2	F	0.0794	0.3731	0.4127
F3_3	F	0.9206	0.2936	0.9127
F4_1	F	0.184	0.3681	0.1554
F4_2	F	0.184	0.7014	0.1554
Ni1_1	Ni	0	0	0	0	0	1.53	1.53
Ni1_2	Ni	0	0.3333	0	0	0	−1.53	1.53

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

⬇ 1.0.20_Cs2NiU3F16.mcif from MAGNDATA · entry page

sha256 of this copy: 29860305e47686670b5396698d8ba8fb2ed933f976d663fe1f88c5fbabd806ac
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.0.20_Cs2NiU3F16.mcif.