Research/Sitter/MAGNDATA / 2.18_Sc2NiMnO6.mcif

Sc₂NiMnO₆

MAGNDATA entry 2.18 · 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 ≤ 17 K (−256 °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
Parent space group	P 2₁/c No. 14
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1/2 0 1/2] · [0 1/2 1/2] 2k
Cell	a 9.9817 · b 10.7054 · c 14.6824 Å · α 90° · β 90.87° · γ 90°
Transition	17 K (−256 °C)
Measured at	1.5 K
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_S 1 →

Atom sites · 20 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Mn1_1	Mn	0.25	0	0.25	1.17	−0.01	1.19	1.6561
Mn1_2	Mn	0	0.25	0	−1.17	−0.01	−1.19	1.6561
Ni1_1	Ni	0.25	0	0	−1.03	0	−1.09	1.4883
Ni1_2	Ni	0	0.25	0.25	−1.03	0	−1.09	1.4883
Sc1_1	Sc	0.4865	0.0385	0.127
Sc1_2	Sc	0.7635	0.2885	0.123
Sc1_3	Sc	0.4865	0.5385	0.127
Sc1_4	Sc	0.7635	0.7885	0.123
O1_1	O	0.183	0.469	0.129
O1_2	O	0.067	0.719	0.121
O1_3	O	0.183	0.969	0.129
O1_4	O	0.067	0.219	0.121
O2_1	O	0.096	0.092	0.2815
O2_2	O	0.154	0.342	0.9685
O2_3	O	0.096	0.592	0.2815
O2_4	O	0.154	0.842	0.9685
O3_1	O	0.337	0.15	0.213
O3_2	O	0.913	0.4	0.037
O3_3	O	0.337	0.65	0.213
O3_4	O	0.913	0.9	0.037

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

⬇ 2.18_Sc2NiMnO6.mcif from MAGNDATA · entry page

sha256 of this copy: a8de50af22ce7532e6e6130e4afc65007ef0d80114b98cdf9545e0f86957e9de
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 2.18_Sc2NiMnO6.mcif.