Research/Sitter/MAGNDATA / 0.60_[NH2(CH3)2]n[FeIIIFeII(HCOO)6]n.mcif

Spin lattice of [NH2(CH3)2]n[FeIIIFeII(HCOO)6]n

[NH₂(CH₃)₂]n[FeIIIFeII(HCOO)₆]n

MAGNDATA entry 0.60 · source

noncoplanar ferrimagnet

Opposite moments of different size leave a net magnetisation.

ordered ≤ 37 K (−236 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	R 3c′ BNS 167.107
Point group	3m′
Parent space group	R 3c No. 167
Spins	noncoplanar · net moment 5.4 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 14.26 · b 14.26 · c 41.443 Å · α 90° · β 90° · γ 120°
Transition	37 K (−236 °C)
Measured at	2 K
Magnetic ions	Fe
Largest moment component	4.1 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 R 3c′ →

Atom sites · 21 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Fe1	Fe	0.674	0	0.25	0.6	1.2	3.8	3.9395
Fe2	Fe	0	0	0	0	0	−4.1	4.1
Fe3	Fe	0	0	0.836	0	0	−4.1	4.1
O1	O	0.489	0.0752	0.1093
O5	O	0.2026	0.9367	0.0542
O3	O	0.4192	0.9415	0.0549
O6	O	0.067	0.9326	0.0271
O4	O	0.4103	0.8012	0.029
O2	O	0.6131	0.2017	0.1407
C1	C	0.5181	0.1495	0.1295
C2	C	0.3673	0.8524	0.0412
C3	C	0.1606	0.9822	0.0396
N1	N	0.2815	0	0.25
C11	C	0.3278	0.3326	0.0531
H1	H	0.4582	0.1703	0.1382
H2	H	0.2789	0.8148	0.0395
H3	H	0.2063	0.0706	0.0371
H11	H	0.4612	0.4004	0.0842
H31	H	0.2481	0.2616	0.0529
H41	H	0.3731	0.3309	0.0324
H51	H	0.3226	0.4057	0.0522

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

L. Canadillas-Delgado et al. J. Am. Chem. Soc. (2012) · doi:10.1021/ja3082457

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.60_[NH2(CH3)2]n[FeIIIFeII(HCOO)6]n.mcif from MAGNDATA · entry page

sha256 of this copy: 0527e8ef597accf25653724af5b5b9b31d9b39ebbd650065e0980db325ed7920
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.60_[NH2(CH3)2]n[FeIIIFeII(HCOO)6]n.mcif.