Research/Sitter/MAGNDATA / 1.371_Nd2NiO4.mcif

Nd₂NiO₄

MAGNDATA entry 1.371 · 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 ¹m¹m¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 320 K (47 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	P_C m n a BNS 53.335
Parent space group	C m c e No. 64
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1 0 0] 1k
Cell	a 5.37325 · b 5.5913 · c 12.0976 Å · α 90° · β 90° · γ 90°
Transition	320 K (47 °C)
Measured at	150 K
Magnetic ions	Nd, Ni
Largest moment component	1.57 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_C m n a →

Atom sites · 4 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ni1	Ni	0	0	0	1.57	0	0	1.57
Nd1	Nd	0	0.9827	0.363
O1	O	0.25	0.25	0.9823
O2	O	0	0.0652	0.1806

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

J. Rodriguez-Carvajal et al. EUROPHYSICS LETTERS (1990) · doi:10.1209/0295-5075/11/3/013

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.371_Nd2NiO4.mcif from MAGNDATA · entry page

sha256 of this copy: 6afbf5b622347b9efc4e869caa398a2404555e2edaaff5134ba6008d9c499264
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.371_Nd2NiO4.mcif.