Research/Sitter/MAGNDATA / 0.867_Nd2NiIrO6.mcif

“Nd₂

MAGNDATA entry 0.867 · source

s-wave ferrimagnet

Opposite moments of different size leave a net magnetisation.

Spin group ¹2/¹m: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 125 K (−148 °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	collinear · net moment 2.78 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 5.4284 · b 5.692 · c 7.7527 Å · α 90° · β 90.18° · γ 90°
Transition	125 K (−148 °C)
Measured at	40 K
Magnetic ions	Ir, Ni
Largest moment component	1.71 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 · 6 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ir1	Ir	0	0	0	0	−0.32	0	0.32
Nd1	Nd	0.014	0.5645	0.749
Ni1	Ni	0	0	0.5	0	1.71	0	1.71
O1	O	0.102	0.0297	0.264
O2	O	0.184	0.292	0.942
O3	O	0.205	0.307	0.547

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

T. Ferreira et al. PHYSICAL REVIEW MATERIALS (2021) · doi:10.1103/PhysRevMaterials.5.064408

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.867_Nd2NiIrO6.mcif from MAGNDATA · entry page

sha256 of this copy: f35aa9373108b6fb592b6d01274b13c3d7adc7a9427998bf7f2730e2f25589f8
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.867_Nd2NiIrO6.mcif.

“Nd2

Symmetry

Source

Original file

“Nd₂