Research/Sitter/MAGNDATA / 1.60_Ca3Co2O6.mcif

Ca₃Co₂O₆

MAGNDATA entry 1.60 · source

antiferromagnet

No net magnetisation, and up and down sublattices are related by a shift or by inversion, so the bands stay spin-degenerate: a conventional antiferromagnet.

Spin group ¹2/¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 12 K (−261 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P_C 2₁/c BNS 14.84
Point group	2/m1′
Parent space group	R 3c No. 167
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1/2 -1/2 1] 1k
Cell	a 18.1134 · b 18.1134 · c 10.3589 Å · α 90° · β 90° · γ 120°
Transition	12 K (−261 °C)
Measured at	10 K
Magnetic ions	Co
Largest moment component	1 μ_B
Method	coexistence with an INC phase.

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_C 2₁/c →

Atom sites · 7 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ca1_1	Ca	0.1846	0	0.25
Ca1_2	Ca	0.8154	0.8154	0.25
Co1	Co	0	0	0
Co2	Co	0	0	0.25	0	0	1	1
O1_1	O	0.0883	0.0122	0.1138
O1_2	O	0.9878	0.0761	0.1138
O1_3	O	0.9239	0.9117	0.1138

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. Agrestini et al. PHYSICAL REVIEW LETTERS (2011) · doi:10.1103/physrevlett.106.197204

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.60_Ca3Co2O6.mcif from MAGNDATA · entry page

sha256 of this copy: 1a9247037e7d5d3cca875f27e68341cae10bc8a815f3e4dc625d641d3b9d2ea2
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.60_Ca3Co2O6.mcif.