Research/Sitter/MAGNDATA / 1.659_MnCl2(CO(NH2)2)2.mcif

MnCl₂C₂O₂N₄H₈

MAGNDATA entry 1.659 · 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 ¹m¹m¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 3 K (−270 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P_I c a 2₁ BNS 29.110
Point group	mm21′
Parent space group	I b a 2 No. 45
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1 1 1] 1k
Cell	a 9.163 · b 12.5772 · c 7.3398 Å · α 90° · β 90° · γ 90°
Transition	2.99 K (−270 °C)
Measured at	1.4 K
Magnetic ions	Mn
Largest moment component	4.06 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_I c a 2₁ →

Atom sites · 10 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Mn	Mn	0	0	0.3143	0	4.06	0	4.06
Cl	Cl	0.8003	0.0086	0.063
O	O	0.9828	0.1679	0.3236
C	C	0.0714	0.2441	0.3228
N1	N	0.0362	0.3357	0.4021
H1	H	0.951	0.3407	0.4575
H2	H	0.0904	0.3928	0.4134
N2	N	0.2002	0.2366	0.2414
H3	H	0.2304	0.1772	0.1914
H4	H	0.2667	0.2854	0.2637

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

J. L. Manson et al. Inorg. Chem. (2015) · doi:10.1021/acs.inorgchem.5b02162

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.659_MnCl2(CO(NH2)2)2.mcif from MAGNDATA · entry page

sha256 of this copy: d934e206e79a760b94a9919eeee718d5f8e7d760b2112a49ff8fbae7bb893ff5
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.659_MnCl2(CO(NH2)2)2.mcif.

MnCl2C2O2N4H8

Symmetry

Source

Original file

MnCl₂C₂O₂N₄H₈