Research/Sitter/MAGNDATA / 0.78_NiN2O6.mcif

NiN₂O₆

MAGNDATA entry 0.78 · source

noncoplanar ferrimagnet

Opposite moments of different size leave a net magnetisation.

ordered ≤ 5.5 K (−268 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	R 3 BNS 148.17
Point group	3
Parent space group	R 3 No. 148
Spins	noncoplanar · net moment 1.74 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 10.332 · b 10.332 · c 12.658 Å · α 90° · β 90° · γ 120°
Transition	5.5 K (−268 °C)
Magnetic ions	Ni
Largest moment component	1.51 μ_B
Method	Model proposed from ab-initio calculations (LSDA+U and HF)

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 R 3 →

Atom sites · 8 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ni1	Ni	0.5	0	0	0.85	1.51	−0.25	1.3348
Ni2	Ni	0	0	0	0	0	1.33	1.33
N1	N	0	0	0.3344
N2	N	0.2313	0.275	0.1166
O1	O	0.3259	0.542	0.0011
O2	O	0.2722	0.3671	0.1913
O3	O	0.1	0.1677	0.1133
O4	O	0.323	0.2913	0.0458

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

O.S. Volkova et al. PHYSICAL REVIEW B (2014) · doi:10.1103/PhysRevB.90.134407

Cite the original paper and MAGNDATA, not this mirror.

Mirror note

re-encoded from Mac OS Roman to UTF-8. Differs from the Bilbao original.

Original file

⬇ 0.78_NiN2O6.mcif from MAGNDATA · entry page

sha256 of this copy: 25afeb601701d0c8e647b957fc9ee78e01948cfb12104a6fecfea3af7a54638d
This copy was altered (see the mirror note above), so the original will hash differently.