Research/Sitter/MAGNDATA / 1.792_V3O5.mcif

V₃O₅

MAGNDATA entry 1.792 · 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 ≤ 76 K (−197 °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 2/c No. 13
Spins	coplanar · net moment 0 μ_B per cell
Propagation	[1/2 1/2 0] 1k
Cell	a 19.7177 · b 10.0688 · c 6.99456 Å · α 90° · β 109.4616° · γ 90°
Transition	76 K (−197 °C)
Measured at	1.5 K
Magnetic ions	V
Largest moment component	1.17 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 · 10 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
V1	V	0.0657	0.0037	0.4109	0	0.47	0.47	0.6647
V2	V	0.1855	0.2485	0.091	0	−0.38	0.98	1.0511
V3	V	0	0.25	0	0	−1.17	0.53	1.2844
V4	V	0.25	0	0	0	1.17	0.53	1.2844
O1	O	0.1504	0.073	0.462
O2	O	0.0928	0.1695	0.026
O3	O	0.041	0.0755	0.636
O4	O	0.21	0.1715	0.862
O5	O	0	0.1485	0.25
O6	O	0.25	0.0925	0.25

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

C. Aguilar-Maldonado et al. Chem. Mater. (2022) · doi:10.1021/acs.chemmater.2c01030

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.792_V3O5.mcif from MAGNDATA · entry page

sha256 of this copy: 89c40f6b26d30fca480f5a1edc96a14b57380348525302193ed07460dacb6577
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.792_V3O5.mcif.