Research/Sitter/MAGNDATA / 0.866_Pr2NiIrO6.mcif

Pr₂Ni₁Ir₁O₆

MAGNDATA entry 0.866 · source

noncoplanar ferrimagnet

Opposite moments of different size leave a net magnetisation.

ordered ≤ 103 K (−170 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P 2₁/c BNS 14.75
Point group	2/m
Parent space group	P 2₁/n’ No. 14
Spins	noncoplanar · net moment 4.6 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 5.4764 · b 5.6794 · c 7.8046 Å · α 90° · β 90.02° · γ 90°
Transition	103 K (−170 °C)
Measured at	3 K
Magnetic ions	Ir, Ni, Pr
Largest moment component	2.3 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 2₁/c →

Atom sites · 8 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ni1	Ni	0	0	0.5	0	2.3	0	2.3
Ir2	Ir	0	0	0.5
Ir1	Ir	0	0	0	1.3	0	1.6	2.0612
Ni2	Ni	0	0	0
Pr1	Pr	0.9873	0.4425	0.2501	0.93	0	0	0.93
O1	O	0.0886	0.0286	0.248
O2	O	0.196	0.2856	0.9608
O3	O	0.292	0.8034	0.9431

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

P. Kayser et al. Acta Materialia (2021) · doi:10.1016/j.actamat.2021.116684

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.866_Pr2NiIrO6.mcif from MAGNDATA · entry page

sha256 of this copy: c52c1cb2d62c34878eeabf764d3fa729d41b119f38875dfc842a30fa8fc6ad6c
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.866_Pr2NiIrO6.mcif.

Pr2Ni1Ir1O6

Symmetry

Source

Original file

Pr₂Ni₁Ir₁O₆