Research/Sitter/MAGNDATA / 1.454_Mn6Ni16Si7.mcif

Mn₆Ni₁₆Si₇

MAGNDATA entry 1.454 · 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 ¹4/¹m¹m¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 198 K (−75 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	C_A m c a BNS 64.480
Parent space group	F m 3 m No. 225
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 0 1] 1k
Cell	a 11.1238 · b 11.1238 · c 11.1238 Å · α 90° · β 90° · γ 90°
Transition	198 K (−75 °C)
Measured at	100 K
Magnetic ions	Mn
Largest moment component	4.45 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 a →

Atom sites · 9 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Mn1_1	Mn	0.6969	0	0	0	−4.45	0	4.45
Mn1_2	Mn	0	0.6969	0	0	4.45	0	4.45
Mn1_3	Mn	0	0	0.6969
Ni1	Ni	0.3332	0.3332	0.3332
Ni2	Ni	0.1178	0.1178	0.1178
Si1	Si	0	0	0
Si2_1	Si	0	0.25	0.25
Si2_2	Si	0.25	0	0.25
Si2_3	Si	0.25	0.25	0

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

S.J. Ahmed et al. Inorg. Chem. (2018) · doi:10.1021/acs.inorgchem.8b01964

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.454_Mn6Ni16Si7.mcif from MAGNDATA · entry page

sha256 of this copy: 1dde143c8ea065843e83313a3c90b659ea4f0095995ed95f1e3585fcbfdd9c83
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.454_Mn6Ni16Si7.mcif.