Research/Sitter/MAGNDATA / 1.680_Nd2NiIrO6.mcif

Nd₂NiIrO₆

MAGNDATA entry 1.680 · source

noncoplanar magnet

Spins pointing in three dimensions, not confined to a plane.

ordered ≤ 15 K (−258 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	P_S 1 BNS 2.7
Point group	11′
Parent space group	P 2₁/n No. 14
Spins	noncoplanar · net moment 0 μ_B per cell
Propagation	[1/2 1/2 0] 1k
Cell	a 10.8732 · b 11.3526 · c 7.7585 Å · α 90° · β 89.99° · γ 90°
Transition	15 K (−258 °C)
Magnetic ions	Ir, Nd, Ni
Largest moment component	1.98 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_S 1 →

Atom sites · 12 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ni1_1	Ni	0	0	0.5	−1.84	0	−0.72	1.976
Ni1_2	Ni	0.25	0.25	0	1.84	0	−0.72	1.9757
Ir1_1	Ir	0	0	0	0	−0.37	0	0.37
Ir1_2	Ir	0.25	0.25	0.5	0	0.37	0	0.37
Nd1_1	Nd	0.007	0.2813	0.752	0	−1.98	0.32	2.0057
Nd1_2	Nd	0.243	0.5313	0.748	0	1.98	0.32	2.0057
O1_1	O	0.0497	0.014	0.241
O1_2	O	0.2003	0.264	0.259
O2_1	O	0.098	0.15	0.941
O2_2	O	0.152	0.4	0.559
O3_1	O	0.098	0.1515	0.5406
O3_2	O	0.152	0.4015	0.9594

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

C. Ritter et al. PHYSICAL REVIEW MATERIALS (2022) · doi:10.1103/PhysRevMaterials.6.084405

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.680_Nd2NiIrO6.mcif from MAGNDATA · entry page

sha256 of this copy: 64fbcc2cbafe47b18f652e916615d1819e18ba099647e573e53ebefcbcded864
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.680_Nd2NiIrO6.mcif.