Research/Sitter/MAGNDATA / 1.64_BaNiF4.mcif

BaNiF₄

MAGNDATA entry 1.64 · 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.

Structure · 10 properties

Magnetic group	P_a 2₁ BNS 4.10
Point group	21′
Parent space group	C m c 2₁ No. 36
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1/2 1/2 0] 1k
Cell	a 8.278 · b 28.738 · c 5.775 Å · α 90° · β 90° · γ 90°
Measured at	4.2 K
Magnetic ions	Ni
Largest moment component	2 μ_B
Method	A small canting caused by a non-zero mz component has been reported in Ederer et al., PHYSICAL REVIEW B 74, 020401R 2006.

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 2₁ →

Atom sites · 6 sites · CSV

site	element	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ba1	Ba	0.0735	0.963
Ni1	Ni	0.207	0	0	2	0	2
F1	F	0.2375	0.287
F2	F	0.15	0.201
F3	F	0.1645	0.745
F4	F	0.4585	0.023

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

D.E. Cox et al. J. Applied Phys. (1970) · doi:10.1063/1.1659035

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.64_BaNiF4.mcif from MAGNDATA · entry page

sha256 of this copy: 7a3626c6eae58144677c728d9fd81da169f2b227e608ebaa8b1b53081e2e99cd
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.64_BaNiF4.mcif.