Research/Sitter/MAGNDATA / 0.727_CsMn2F6.mcif

CsMn₂F₆

MAGNDATA entry 0.727 · source

noncoplanar ferrimagnet

Opposite moments of different size leave a net magnetisation.

ordered ≤ 10 K (−263 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P 2₁/c BNS 14.75
Point group	2/m
Parent space group	P n m a No. 62
Spins	noncoplanar · net moment 0.702 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 7.3013 · b 7.7141 · c 10.1926 Å · α 90° · β 90° · γ 90°
Transition	10 K (−263 °C)
Measured at	1.5 K
Magnetic ions	Mn
Largest moment component	3.961 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 2₁/c →

Atom sites · 10 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Mn1_1	Mn	0	0	0.5	0.037	3.4	0.012	3.4002
Mn1_2	Mn	0.5	0	0	0.426	3.483	0.312	3.5228
Mn2	Mn	0.2862	0.25	0.7394	−0.056	3.961	−1.166	4.1294
Cs1	Cs	0.9941	0.25	0.1289
F1	F	0.9357	0.25	0.4532
F2_1	F	0.6372	0.5189	0.154
F2_2	F	0.8628	0.4811	0.654
F3_1	F	0.2895	0.567	0.0893
F3_2	F	0.2105	0.433	0.5893
F4	F	0.045	0.25	0.8365

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. (2021) · doi:10.1021/jacs.1c04245

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.727_CsMn2F6.mcif from MAGNDATA · entry page

sha256 of this copy: eff3d4f4903e4fb58c5c17793d9e47ae35f0199c8c885ff335b9244bfeaa5278
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.727_CsMn2F6.mcif.