Research/Sitter/MAGNDATA / 1.286_Fe2(C2O4)3.4H2O.mcif

Fe₂(C₂O₄)_3.4H₂O

MAGNDATA entry 1.286 · 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 ¹1̄ × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 25 K (−248 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	P_S 1 BNS 2.7
Parent space group	P 1 No. 2
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1/2 1/2 0] 1k
Cell	a 10.5412 · b 13.0833 · c 9.0961 Å · α 91.56° · β 97.28° · γ 93.08°
Transition	25 K (−248 °C)
Measured at	2 K
Magnetic ions	Fe
Largest moment component	4 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_S 1 →

Atom sites · 16 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Fe1	Fe	0.2377	0.1438	0.2385	1.16	−0.88	4	4.1528
C1	C	0.0625	0.035	0.0068
C2	C	0.1945	0.2185	0.5233
C3	C	0.193	0.277	0.0116
O1	O	0.105	0.077	0.9065
O2	O	0.1165	0.042	0.1472
O3	O	0.145	0.1599	0.4183
O4	O	0.142	0.2435	0.6325
O5	O	0.1445	0.2565	0.1305
O6	O	0.356	0.1595	0.0769
O7	O	0.341	0.0385	0.334
H1	H	0.3925	0.0555	0.443
H2	H	0.381	0.49	0.257
O8	O	0.078	0.396	0.387
H3	H	0.097	0.4305	0.285
H4	H	0.0085	0.345	0.359

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

G. Rousse et al. Dalton Trans. (2016) · doi:10.1039/c6dt02740g

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.286_Fe2(C2O4)3.4H2O.mcif from MAGNDATA · entry page

sha256 of this copy: 4d09f80dceb87413fa966a47c089050a748dc03c8c8d49fac2acd57abfd58867
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.286_Fe2(C2O4)3.4H2O.mcif.