Research/Sitter/MAGNDATA / 1.353_SmNiO3.mcif

SmNiO₃

MAGNDATA entry 1.353 · 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 ≤ 230 K (−43 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	C_a m c 2₁ BNS 36.178
Parent space group	P n m a No. 62
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1/2 0 1/2] 1k
Cell	a 10.6602 · b 5.4296 · c 15.136 Å · α 90° · β 90° · γ 90°
Transition	230 K (−43 °C)
Measured at	1.5 K
Magnetic ions	Ni, Sm
Largest moment component	0.85 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 C_a m c 2₁ →

Atom sites · 7 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Sm1_1	Sm	0.2454	0.4496	0.375
Sm1_2	Sm	0.4954	0.0504	0.125	0.4	0	0	0.4
Ni1	Ni	0.25	0	0	0.85	0	0	0.85
O1_1	O	0.2904	0.0145	0.375
O1_2	O	0.5404	0.4855	0.125
O2_1	O	0.3538	0.2929	0.0213
O2_2	O	0.6038	0.2071	0.9787

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. PHYSICAL REVIEW B (1998) · doi:10.1103/PhysRevB.57.456

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.353_SmNiO3.mcif from MAGNDATA · entry page

sha256 of this copy: 648425890c3e9c8bad51eec76aef1a1b4516f5f2e7e117242be1e6e474aa5fa5
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.353_SmNiO3.mcif.