Research/Sitter/MAGNDATA / 0.1062_Fe2(SeO3)3(H2O)3.mcif

Fe₂Se₃O₁₂H₆

MAGNDATA entry 0.1062 · source

noncoplanar ferrimagnet

Opposite moments of different size leave a net magnetisation.

ordered ≤ 77 K (−196 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	C c BNS 9.37
Point group	m
Parent space group	R 3 c No. 161
Spins	noncoplanar · net moment 7.59 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 9.3643 · b 9.3643 · c 20.2808 Å · α 90° · β 90° · γ 120°
Transition	77 K (−196 °C)
Measured at	25 K
Magnetic ions	Fe
Largest moment component	3.73 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 C c →

Atom sites · 23 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Se1_1	Se	0.7665	0.6133	0.7201
Se1_2	Se	0.3867	0.1532	0.7201
Se1_3	Se	0.8468	0.2335	0.7201
Fe1	Fe	0	0	0.0003	0	3.13	−3.73	4.8693
Fe2	Fe	0	0	0.2685	0	−0.6	−0.7	0.922
O1_1	O	0.8174	0.5313	0.7847
O1_2	O	0.4687	0.2861	0.7847
O1_3	O	0.7139	0.1826	0.7847
O2_1	O	0.9408	0.8005	0.7119
O2_2	O	0.1995	0.1403	0.7119
O2_3	O	0.8597	0.0592	0.7119
O3_1	O	0.8136	0.5275	0.6568
O3_2	O	0.4725	0.2861	0.6568
O3_3	O	0.7139	0.1864	0.6568
O4_1	O	0.6161	0.4702	0.9005
O4_2	O	0.5298	0.1459	0.9005
O4_3	O	0.8541	0.3839	0.9005
H1_1	H	0.592	0.538	0.885
H1_2	H	0.462	0.054	0.885
H1_3	H	0.946	0.408	0.885
H2_1	H	0.582	0.438	0.939
H2_2	H	0.562	0.144	0.939
H2_3	H	0.856	0.418	0.939

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

E. E. Oyeka et al. APL Mater. (2024) · doi:10.1063/5.0241243

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.1062_Fe2(SeO3)3(H2O)3.mcif from MAGNDATA · entry page

sha256 of this copy: d021cf7f08879499ede4ab1ef8ed8bc2daa0e306a2d9e308b28a46ff6f7f7b0c
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.1062_Fe2(SeO3)3(H2O)3.mcif.

Fe2Se3O12H6

Symmetry

Source

Original file

Fe₂Se₃O₁₂H₆