Research/Sitter/MAGNDATA / 0.295_Cu2(OD)3Cl.mcif

Cu₂(OD)₃Cl

MAGNDATA entry 0.295 · source

noncollinear antiferromagnet

All moments add up to a net magnetisation: an ordinary magnet. Spin splitting is the same in every direction (s-wave).

ordered ≤ 6 K (−267 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	P 2₁/c BNS 14.75
Parent space group	P 2₁/c No. 14
Spins	coplanar · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 6.1517 · b 6.8161 · c 9.1054 Å · α 90° · β 99.84° · γ 90°
Transition	6 K (−267 °C)
Measured at	2 K
Magnetic ions	Cu
Largest moment component	0.58 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)
Cu1	Cu	0.2413	0.7656	0.2514	0	0	−0.58	0.58
Cu2	Cu	0.5	0	0	−0.57	0	0	0.57
Cu3	Cu	0	0	0	−0.57	0	0	0.57
O1	O	0.0794	0.0192	0.2235
O2	O	0.259	0.8204	0.0397
O3	O	0.3097	0.2092	0.0496
Cl1	Cl	0.612	0.9956	0.3073
D1	D	0.7202	0.6854	0.0213
D2	D	0.7615	0.292	0.0274
D3	D	0.5527	0.522	0.2307

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

A.S. Wills et al. J. Phys.: Condens. Matter (2008) · doi:10.1088/0953-8984/20/47/472206

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.295_Cu2(OD)3Cl.mcif from MAGNDATA · entry page

sha256 of this copy: c5d01420fa510a14e5f3a4ca299ef4286e18a544023acc63fdc37f2af6e0bae5
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.295_Cu2(OD)3Cl.mcif.