Research/Sitter/MAGNDATA / 1.247_NiCl2.mcif

NiCl₂

MAGNDATA entry 1.247 · 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 ¹3̄¹m × 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 · 9 properties

Magnetic group	C_c 2/c BNS 15.90
Parent space group	R 3m No. 166
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 0 3/2] 1k
Cell	a 3.483 · b 3.483 · c 34.8 Å · α 90° · β 90° · γ 120°
Transition	52 K (−221 °C)
Magnetic ions	Ni
Largest moment component	2.44 μ_B
Method	NPD, NSD, etc.

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 C_c 2/c →

Atom sites · 2 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ni1	Ni	0	0	0	2.44	1.22	0	2.1131
Cl1	Cl	0	0	0.1275

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

M. McGuire et al. Crystals (2017) · doi:10.3390/cryst7050121

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.247_NiCl2.mcif from MAGNDATA · entry page

sha256 of this copy: 3a7c63af67b94a86f2711db6b360d7b88fd01e44db7d80cfaa7e16e51296c245
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.247_NiCl2.mcif.