Research/Sitter/MAGNDATA / 1.0.18_Cs2MnU3F16.mcif

Cs₂MnU₃F₁₆

MAGNDATA entry 1.0.18 · 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 ≤ 14 K (−259 °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 15.9 μ_B per cell
Propagation	[1/3 1/3 0] · [0 0 0] 1k
Cell	a 24.0405 · b 24.0405 · c 13.1776 Å · α 90° · β 90° · γ 120°
Transition	14 K (−259 °C)
Measured at	1.5 K
Magnetic ions	Mn, U
Largest moment component	3.26 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	0.2765	0.553	0.25	0	0	−1.97	1.97
U1_2	U	0.2765	0.8864	0.25	0	0	1.97	1.97
Cs1	Cs	0.1111	0.2222	0.0584
F1_1	F	0.0584	0.1168	0.25
F1_2	F	0.0584	0.4501	0.25
F2_1	F	0	0	0.25
F2_2	F	0	0.3333	0.25
F3_1	F	0.2922	0.5845	0.4099
F3_2	F	0.2922	0.9178	0.4099
F4_1	F	0.1842	0.3683	0.1577
F4_2	F	0.1842	0.7017	0.1577
Mn1_1	Mn	0	0	0	0	0	3.26	3.26
Mn1_2	Mn	0	0.3333	0	0	0	−3.26	3.26

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

⬇ 1.0.18_Cs2MnU3F16.mcif from MAGNDATA · entry page

sha256 of this copy: e923a8e153c628f6d3b3bc8185a788dd5ee271c24cd930e05591b97de04cc1da
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.0.18_Cs2MnU3F16.mcif.