Research/Sitter/MAGNDATA / 1.264_CoPS3.mcif

CoPS₃

MAGNDATA entry 1.264 · 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 ≤ 120 K (−153 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	P_C 2₁/m BNS 11.57
Parent space group	C 2/m No. 12
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 1 0] 1k
Cell	a 5.901 · b 10.222 · c 6.658 Å · α 90° · β 107.17° · γ 90°
Transition	120 K (−153 °C)
Measured at	4 K
Magnetic ions	Co
Largest moment component	3.13 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_C 2₁/m →

Atom sites · 4 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Co1	Co	0	0.3314	0	3.13	0	−0.6	3.3564
P1	P	0.057	0	0.169
S1	S	0.746	0	0.244
S2	S	0.252	0.169	0.247

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.R. Wildes et al. J. Phys.: Condens. Matter (2017) · doi:10.1088/1361-648X/aa8a43

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.264_CoPS3.mcif from MAGNDATA · entry page

sha256 of this copy: 2f55defa95c4503285185d7dd996368690cef1182a595ce7e91b6fed5101b0f8
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.264_CoPS3.mcif.