Research/Sitter/MAGNDATA / 0.691_CaCo1.86As2.mcif

CaCo_1.86As₂

MAGNDATA entry 0.691 · 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 ¹4/¹m¹m¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 52 K (−221 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	P_I 4/n n c BNS 126.386
Parent space group	I 4/m m m No. 139
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1 1 1] 1k
Cell	a 3.9846 · b 3.9846 · c 10.2019 Å · α 90° · β 90° · γ 90°
Transition	52 K (−221 °C)
Measured at	10 K
Magnetic ions	Co
Largest moment component	0.6 μ_B
Method	NSD

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_I 4/n n c →

Atom sites · 3 sites · CSV

site	element	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ca1	Ca	0	0
Co1	Co	0.5	0.75	0	0	0.6	0.6
As1	As	0	0.3664

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

D. G. Quirinale et al. PHYSICAL REVIEW B (2013) · doi:10.1103/PhysRevB.88.174420

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.691_CaCo1.86As2.mcif from MAGNDATA · entry page

sha256 of this copy: b630db931086b3d2fd6527ea3e2c21cb4a9f34c5d67762f23825aa2ee4e38d70
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.691_CaCo1.86As2.mcif.