Research/Sitter/MAGNDATA / 1.37_VOCl.mcif

VOCl

MAGNDATA entry 1.37 · 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 ≤ 80 K (−193 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	C_a 2/c BNS 15.91
Point group	2/m1′
Parent space group	P m m n No. 59
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1/2 1/2 1/2] 1k
Cell	a 7.535 · b 6.5809 · c 15.7916 Å · α 90° · β 90° · γ 90.21°
Transition	80 K (−193 °C)
Measured at	2 K
Magnetic ions	V
Largest moment component	1.3 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 C_a 2/c →

Atom sites · 3 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
V	V	0.375	0.125	0.0584	1.3	0	0	1.3
Cl	Cl	0.125	0.125	0.335
O	O	0.125	0.125	0.024

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.C. Komarek et al. PHYSICAL REVIEW B · doi:10.1103/physrevb.79.104425

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.37_VOCl.mcif from MAGNDATA · entry page

sha256 of this copy: 7c1a845b2d8339d8f8b1df85f77a328f1d008e79fcfda4a49d1f99eeb65746f6
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.37_VOCl.mcif.