Research/Sitter/MAGNDATA / 1.679_Nd2NiIrO6.mcif

Nd₂Ni₁Ir₁O₆

MAGNDATA entry 1.679 · 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 ¹1̄ × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 7 K (−266 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P_S 1 BNS 2.7
Point group	11′
Parent space group	P 2₁/n No. 14
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1/2 1/2 0] 1k
Cell	a 10.8602 · b 11.3902 · c 7.7561 Å · α 90° · β 90.21° · γ 90°
Transition	7 K (−266 °C)
Measured at	4 K
Magnetic ions	Ir, Nd, Ni
Largest moment component	2.2 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	0	−1.27	0	1.27
Ni1_2	Ni	0.25	0.25	0	0	1.27	0	1.27
Ir1_1	Ir	0	0	0	0	−0.32	0	0.32
Ir1_2	Ir	0.25	0.25	0.5	0	0.32	0	0.32
Nd1_1	Nd	0.008	0.2824	0.759	0	−2.2	0	2.2
Nd1_2	Nd	0.242	0.5324	0.741	0	2.2	0	2.2
O1_1	O	0.0505	0.014	0.262
O1_2	O	0.1995	0.264	0.238
O2_1	O	0.092	0.1425	0.947
O2_2	O	0.158	0.3925	0.553
O3_1	O	0.1005	0.1585	0.549
O3_2	O	0.1495	0.4085	0.951

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

⬇ 1.679_Nd2NiIrO6.mcif from MAGNDATA · entry page

sha256 of this copy: 4c12a2c0c18d12a4c8c6de6cb726c056a2da8642e36de61f4d1ebeaf9a6b7a1b
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.679_Nd2NiIrO6.mcif.

Nd2Ni1Ir1O6

Symmetry

Source

Original file

Nd₂Ni₁Ir₁O₆