Research/Sitter/MAGNDATA / 0.191_BaCuF4.mcif

BaCuF₄

MAGNDATA entry 0.191 · source

noncollinear ferrimagnet

Opposite moments of different size leave a net magnetisation.

ordered ≤ 275 K (2 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 9 properties

Magnetic group	C m′ c′ 2₁ BNS 36.176
Parent space group	C m c 2₁ No. 36
Spins	coplanar · net moment 0.236 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 4.476 · b 13.972 · c 5.551 Å · α 90° · β 90° · γ 90°
Transition	275 K (2 °C)
Magnetic ions	Cu
Largest moment component	0.829 μ_B
Method	DFT calculation

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 m′ c′ 2₁ →

Atom sites · 6 sites · CSV

site	element	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ba1	Ba	0.137	0
Cu1	Cu	0.4074	0.0239	0	0.829	0.059	0.8311
F1	F	0.4812	0.3365
F2	F	0.302	0.2427
F3	F	0.3291	0.755
F4	F	0.9321	0.035

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. Garcia-Castro et al. PHYSICAL REVIEW LETTERS (2018) · doi:10.1103/PhysRevLett.121.117601

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.191_BaCuF4.mcif from MAGNDATA · entry page

sha256 of this copy: f138f32228871601074a531d1b96a02e933e7f1c62af2cadc7d79eeb22ed998c
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.191_BaCuF4.mcif.