Research/Sitter/MAGNDATA / 2.72_VNb3S6.mcif

VNb₃S₆

MAGNDATA entry 2.72 · source

noncollinear antiferromagnet

All moments add up to a net magnetisation: an ordinary magnet. Spin splitting is the same in every direction (s-wave).

ordered ≤ 50 K (−223 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	C 2′2′2₁ BNS 20.33
Parent space group	P 6₃ 2 2 No. 182
Spins	coplanar · net moment 0.02 μ_B per cell
Propagation	[0 0 0] · [0 0 1/3] 2k
Cell	a 5.7387 · b 5.7387 · c 36.3378 Å · α 90° · β 90° · γ 120°
Transition	50 K (−223 °C)
Measured at	5 K
Magnetic ions	V
Largest moment component	1.21 μ_B
Method	NPD and 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 C 2′2′2₁ →

Atom sites · 16 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Nb1_1	Nb	0	0	0
Nb1_2	Nb	0	0	0.3333
Nb2_1	Nb	0.3333	0.6667	0.332
Nb2_2	Nb	0.6667	0.3333	0.4987
Nb2_3	Nb	0.3333	0.6667	0.6653
V1_1	V	0.3333	0.6667	0.0833	0.9	0	1.21	1.508
V1_2	V	0.6667	0.3333	0.25	−0.9	0	−0.61	1.0872
S1_1	S	0.6633	0.0011	0.0433
S1_2	S	0.9989	0.6622	0.0433
S1_3	S	0.3378	0.3367	0.0433
S1_4	S	0.3367	0.9989	0.2099
S1_5	S	0.0011	0.3378	0.2099
S1_6	S	0.6622	0.6633	0.2099
S1_7	S	0.6633	0.0011	0.3766
S1_8	S	0.9989	0.6622	0.3766
S1_9	S	0.3378	0.3367	0.3766

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. E. Hall et al. PHYSICAL REVIEW B (2021) · doi:10.1103/PhysRevB.103.174431

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 2.72_VNb3S6.mcif from MAGNDATA · entry page

sha256 of this copy: d1f144d2d41a9f37cac3591f1a594ea96cd213e144497baa6a73301f240a8577
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 2.72_VNb3S6.mcif.