Research/Sitter/MAGNDATA / 0.548_Mn2FeReO6.mcif

Mn₂FeReO₆

MAGNDATA entry 0.548 · source

noncollinear ferrimagnet

Opposite moments of different size leave a net magnetisation.

ordered ≤ 520 K (247 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	P 1 BNS 2.4
Parent space group	P 2₁/c No. 14
Spins	coplanar · net moment 8.848 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 5.1934 · b 5.3567 · c 7.5791 Å · α 90° · β 89.88° · γ 90°
Transition	520 K (247 °C)
Measured at	70 K
Magnetic ions	Fe, Mn, Re
Largest moment component	3.27 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 1 →

Atom sites · 16 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Mn1_1	Mn	0.9904	0.053	0.2402	1.16	−1.46	1.07	2.1511
Mn1_2	Mn	0.5096	0.553	0.2598	−1.16	1.46	−1.07	2.1511
Fe1_1	Fe	0.5	0	0.5	3.27	0	3.27	4.6293
Fe1_2	Fe	0	0.5	0	3.27	0	3.27	4.6293
Re1_1	Re	0.5	0	0.5
Re1_2	Re	0	0.5	0
Re2_1	Re	0.5	0	0	−0.145	0	−0.145	0.2053
Re2_2	Re	0	0.5	0.5	−0.145	0	−0.145	0.2053
Fe2_1	Fe	0.5	0	0
Fe2_2	Fe	0	0.5	0.5
O1_1	O	0.1926	0.1919	0.9333
O1_2	O	0.3074	0.6919	0.5667
O2_1	O	0.1736	0.1865	0.5602
O2_2	O	0.3264	0.6865	0.9398
O3_1	O	0.38	0.942	0.2489
O3_2	O	0.12	0.442	0.2511

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

M.-R. Li et al. Angew. Chem. Int. Ed. (2015) · doi:10.1002/anie.201506456

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.548_Mn2FeReO6.mcif from MAGNDATA · entry page

sha256 of this copy: e80c7d501f86b74b73067e93420673d8cd23b1653860ffbe5644e4afb14e3dc9
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.548_Mn2FeReO6.mcif.