Research/Sitter/MAGNDATA / 0.35_Cu2OSeO3.mcif

Cu₂OSeO₃

MAGNDATA entry 0.35 · source

s-wave ferrimagnet

Opposite moments of different size leave a net magnetisation.

Spin group ¹m¹3̄: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 60 K (−213 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	R 3 BNS 146.10
Point group	3
Parent space group	P 2₁3 No. 198
Spins	collinear · net moment 4.85 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 8.925 · b 8.925 · c 8.925 Å · α 90° · β 90° · γ 90°
Transition	60 K (−213 °C)
Measured at	10 K
Magnetic ions	Cu
Largest moment component	0.35 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 R 3 →

Atom sites · 22 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Cu1_1	Cu	0.886	0.886	0.886	0.35	0.35	0.35	0.6062
Cu1_2	Cu	0.614	0.114	0.386	0.35	0.35	0.35	0.6062
Cu2_1	Cu	0.1335	0.1211	0.8719	−0.35	−0.35	−0.35	0.6062
Cu2_2	Cu	0.3665	0.8789	0.3719	−0.35	−0.35	−0.35	0.6062
Cu2_3	Cu	0.8665	0.6211	0.6281	−0.35	−0.35	−0.35	0.6062
Cu2_4	Cu	0.6335	0.3789	0.1281	−0.35	−0.35	−0.35	0.6062
O1_1	O	0.0105	0.0105	0.0105
O1_2	O	0.4895	0.9895	0.5105
O2_1	O	0.7621	0.7621	0.7621
O2_2	O	0.7379	0.2379	0.2621
Se1_1	Se	0.459	0.459	0.459
Se1_2	Se	0.041	0.541	0.959
O3_1	O	0.2699	0.4834	0.4706
O3_2	O	0.2301	0.5166	0.9706
O3_3	O	0.7301	0.9834	0.0294
O3_4	O	0.7699	0.0166	0.5294
Se2_1	Se	0.2113	0.2113	0.2113
Se2_2	Se	0.2887	0.7887	0.7113
O4_1	O	0.271	0.1892	0.0313
O4_2	O	0.229	0.8108	0.5313
O4_3	O	0.729	0.6892	0.4687
O4_4	O	0.771	0.3108	0.9687

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

J.-W.G. Bos et al. PHYSICAL REVIEW B (2008) · doi:10.1103/physrevb.78.094416

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.35_Cu2OSeO3.mcif from MAGNDATA · entry page

sha256 of this copy: 965286050fc54a145c54a00ab47b6e6b5294a38a77a3ad37fb485d370ba330a6
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.35_Cu2OSeO3.mcif.