Research/Sitter/MAGNDATA / 0.294_Cu4(OD)6FBr.mcif

Cu₄(OD)₆FBr

MAGNDATA entry 0.294 · source

noncoplanar ferrimagnet

Opposite moments of different size leave a net magnetisation.

ordered ≤ 15 K (−258 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	P n′ m′ a BNS 62.446
Parent space group	P n m a No. 62
Spins	noncoplanar · net moment 0.6 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 11.551 · b 9.28 · c 6.6791 Å · α 90° · β 90° · γ 90°
Transition	15 K (−258 °C)
Measured at	2 K
Magnetic ions	Cu
Largest moment component	0.493 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 n′ m′ a →

Atom sites · 11 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Cu1	Cu	0	0	0	0.144	0.02	−0.05	0.1537
Cu2	Cu	0.2504	0.5091	0.2466	0.361	0.19	0	0.4079
Cu3	Cu	0.1863	0.25	0.0563	0.493	0	0.2	0.532
F1	F	0.4979	0.25	0.0034
Br1	Br	0.331	0.25	0.4985
O1	O	0.2964	0.0964	0.0015
O2	O	0.1014	0.0904	0.1998
O3	O	0.4007	0.5875	0.302
D1	D	0.3776	0.1268	0.9988
D2	D	0.063	0.1364	0.313
D3	D	0.4405	0.6389	0.1912

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

K. Tustain et al. Phys. Rev. Materials (2018) · doi:10.1103/PhysRevMaterials.2.111405

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.294_Cu4(OD)6FBr.mcif from MAGNDATA · entry page

sha256 of this copy: 42add7c245fb0d17d08130217d940975296f8b5d650a49dbc3d1785c704e0114
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.294_Cu4(OD)6FBr.mcif.