Research/Sitter/MAGNDATA / 0.1050_Co(DCOO)2(D2O)2.mcif

Co₁D₆C₂O₆

MAGNDATA entry 0.1050 · source

noncoplanar ferrimagnet

Opposite moments of different size leave a net magnetisation.

Structure · 10 properties

Magnetic group	P 2₁′/c′ BNS 14.79
Point group	2′/m′
Parent space group	P 2₁/c No. 14
Spins	noncoplanar · net moment 8.282 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 8.66936 · b 7.1127 · c 9.29031 Å · α 90° · β 97.4764° · γ 90°
Measured at	1.5 K
Magnetic ions	Co
Largest moment component	2.88 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 · 16 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Co1	Co	0	0	0	−0.5	2.24	1.19	2.6151
Co2	Co	0.5	0	0.5	0.1	0.83	2.88	2.9864
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

⬇ 0.1050_Co(DCOO)2(D2O)2.mcif from MAGNDATA · entry page

sha256 of this copy: ee0d6bf5a3f87c65d790865144b0bb4459c873eeac526e607584dbc958e0aff6
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.1050_Co(DCOO)2(D2O)2.mcif.

Co1D6C2O6

Symmetry

Source

Original file

Co₁D₆C₂O₆