Research/Sitter/MAGNDATA / 1.50_AgNiO2.mcif

AgNiO₂

MAGNDATA entry 1.50 · 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.

ordered ≤ 20 K (−253 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	P_B 2₁2₁2 BNS 18.22
Point group	2221′
Parent space group	P 6₃22 No. 182
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1/2 0 0] 1k
Cell	a 10.1816 · b 5.0908 · c 12.2498 Å · α 90° · β 90° · γ 120°
Transition	20 K (−253 °C)
Magnetic ions	Ni
Largest moment component	1.552 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 P_B 2₁2₁2 →

Atom sites · 8 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ni1	Ni	0.1667	0.6667	0.25	0	0	1.552	1.552
Ni2	Ni	0	0	0.25
Ni3	Ni	0.1667	0.6667	0.75
Ag1_1	Ag	0.3333	0	0
Ag1_2	Ag	0	0.6667	0
O1_1	O	0.1667	0.0133	0.3305
O1_2	O	0.4934	0.32	0.3305
O1_3	O	0.34	0.6667	0.3305

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

E. Wawrzyńska et al. PHYSICAL REVIEW B (2008) · doi:10.1103/physrevb.77.094439

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.50_AgNiO2.mcif from MAGNDATA · entry page

sha256 of this copy: eb361e9e06c2ffabb14153f3d8e9f24311c863a197e659b6efea10c7eb3e1dc4
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.50_AgNiO2.mcif.