Research/Sitter/MAGNDATA / 0.1049_Co(DCOO)2(D2O)2.mcif

Co₁D₆C₂O₆

MAGNDATA entry 0.1049 · source

noncoplanar ferrimagnet

Opposite moments of different size leave a net magnetisation.

ordered ≤ 5.2 K (−268 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P 2₁/c1 BNS 14.75
Point group	2/m1
Parent space group	P 2₁/c No. 14
Spins	noncoplanar · net moment 1.64 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 8.67 · b 7.11305 · c 9.28988 Å · α 90° · β 97.4666° · γ 90°
Transition	5.2 K (−268 °C)
Measured at	1.5 K
Magnetic ions	Co
Largest moment component	1.71 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/c1 →

Atom sites · 16 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Co1	Co	0	0	0	1.71	−0.82	1.61	2.3395
Co2	Co	0.5	0	0.5	−0.08	0	−1.17	1.1623
O1	O	0.4416	0.2664	0.4213
O2	O	0.7913	0.6657	0.4956
O3	O	0.9079	0.2688	0.5995
O4	O	0.9008	0.1081	0.7938
O5	O	0.2776	0.9748	0.574
O6	O	0.5933	0.1151	0.6885
C1	C	0.6771	0.6198	0.565
C2	C	0.9641	0.2184	0.7202
D1	D	0.3257	0.5269	0.3864
D2	D	0.0689	0.2857	0.7669
D3	D	0.213	0.8791	0.5129
D4	D	0.2364	0.0952	0.553
D5	D	0.7016	0.0987	0.7323
D6	D	0.5374	0.147	0.766

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

S. Calder et al. Acta Cryst. B (2024) · doi:10.1107/S2052520624008023

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.1049_Co(DCOO)2(D2O)2.mcif from MAGNDATA · entry page

sha256 of this copy: c4bc57117f5e09c4413b0dca7e4e8ca3a10f128ed389bb0713e7828a872dfa70
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.1049_Co(DCOO)2(D2O)2.mcif.

Co1D6C2O6

Symmetry

Source

Original file

Co₁D₆C₂O₆