Research/Sitter/MAGNDATA / 1.199_Sc2NiMnO6.mcif

Sc₂NiMnO₆

MAGNDATA entry 1.199 · 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 ¹2/¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 35 K (−238 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 9 properties

Magnetic group	P_a 2₁/c BNS 14.80
Parent space group	P 2₁/c No. 14
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1/2 0 1/2] 1k
Cell	a 9.9817 · b 5.3527 · c 14.6824 Å · α 90° · β 90.87° · γ 90°
Transition	35 K (−238 °C)
Magnetic ions	Mn, Ni
Largest moment component	1.19 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_a 2₁/c →

Atom sites · 6 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Mn1	Mn	0.25	0	0.25	1.17	0	1.19	1.6561
Ni1	Ni	0.25	0	0
Sc1	Sc	0.4865	0.077	0.127
O1	O	0.183	0.938	0.129
O2	O	0.096	0.184	0.2815
O3	O	0.337	0.3	0.213

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

W. Yi et al. Inorganic Chenistry (2015) · doi:10.1021/acs.inorgchem.5b01195

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.199_Sc2NiMnO6.mcif from MAGNDATA · entry page

sha256 of this copy: 9c17600673905c7cf6b903fedb0cdafddb2df5d9826a1b81e5c7a8f08b7a0742
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.199_Sc2NiMnO6.mcif.