Research/Sitter/MAGNDATA / 1.1.98_(CH3NH3)Ni(COOH)3.mcif

(CH₃NH₃)Ni(COOH)₃

MAGNDATA entry 1.1.98 · source

incommensurate spin-density wave

Incommensurate: the magnetic pattern repeats every so many cells, but not a whole number of them, so it never lines up with the crystal lattice. Here it's a spin-density wave: the size of the spin swells and shrinks as you move along.

ordered ≤ 34 K (−239 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	Pn′ma′(00γ)0s0
Point group	m′m′m
Parent space group	P n m a No. 62
Repeats every	7.01 cells along c (not a whole number: that's what incommensurate means)
Propagation	[0 0 0.1426] 1k
Cell	a 8.1724 · b 11.5374 · c 8.0925 Å · α 90° · β 90° · γ 90°
Transition	34 K (−239 °C)
Measured at	5 K
Magnetic ions	Ni
Largest moment component	1.97 μ_B
Method	NSD

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 Pn′ma′(00γ)0s0 →

Atom sites · 14 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ni1	Ni	0.5	0	0	0.48	0.68	1.97	2.1386
O1	O	0.5968	−0.0697	−0.2122
O2	O	0.7751	−0.0582	−0.4175
O3	O	0.4752	0.1542	−0.1251
N1	N	0.9141	0.25	−0.0303
C1	C	0.7222	−0.0284	−0.277
C2	C	1.0876	0.25	0.0238
C3	C	0.4908	0.25	−0.0529
H1	H	0.7919	0.0367	−0.2102
H2	H	0.5182	0.25	0.0808
H3	H	0.9118	0.25	−0.1579
H4	H	1.0923	0.25	0.157
H5	H	0.8524	0.1779	0.0127
H6	H	1.1466	0.3262	−0.0227

Incommensurate: the moments are modulated; the picture evaluates each atom's Fourier series at its own phase.

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. Inorg. Chem. (2020) · doi:10.1021/acs.inorgchem.0c01722

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.1.98_(CH3NH3)Ni(COOH)3.mcif from MAGNDATA · entry page

sha256 of this copy: 9d9774982f6b7456029bf958f9cbc6a73b4153ac8624e81acaf14923827e4732
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.1.98_(CH3NH3)Ni(COOH)3.mcif.