Research/Sitter/MAGNDATA / 1.86_GeV4S8.mcif

GeV₄S₈

MAGNDATA entry 1.86 · 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 ¹m¹m¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 13 K (−260 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P_a n a 2₁ BNS 33.149
Point group	mm21′
Parent space group	F 43m No. 216
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1/2 1/2 0] 1k
Cell	a 6.8362 · b 13.587 · c 9.6384 Å · α 90° · β 90° · γ 90°
Transition	13 K (−260 °C)
Measured at	4 K
Magnetic ions	V
Largest moment component	0.697 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 P_a n a 2₁ →

Atom sites · 10 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
V1_1	V	0.2878	0.1243	0.1047	0	0	0.697	0.697
V1_2	V	0	0.9724	0.3841	0	0	0.128	0.128
V1_3	V	0	0.7738	0.3888	0	0	0.128	0.128
Ge1	Ge	0	0.3756	0.9968
S1_1	S	0	0.0042	0.6313
S1_2	S	0	0.2454	0.6323
S1_3	S	0.2366	0.1316	0.8712
S2_1	S	0	0.0143	0.1288
S2_2	S	0	0.2405	0.1339
S2_3	S	0.2703	0.876	0.8675

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

H. Muller et al. Chem. Mater. (2006) · doi:10.1021/cm052809m

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.86_GeV4S8.mcif from MAGNDATA · entry page

sha256 of this copy: 83bca7366388ed8a7600c35d93035a45373d3e9d76ef831020425aecc43bd673
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.86_GeV4S8.mcif.