Research/Sitter/MAGNDATA / 0.808_Fe2Se2O7.mcif

Fe₂O₇Se₂

MAGNDATA entry 0.808 · source

noncoplanar magnet

Spins pointing in three dimensions, not confined to a plane.

ordered ≤ 105 K (−168 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P c′ c n BNS 56.367
Point group	m′mm
Parent space group	P c c n No. 56
Spins	noncoplanar · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 6.64 · b 12.85 · c 13.27 Å · α 90° · β 90° · γ 90°
Transition	105 K (−168 °C)
Measured at	90 K
Magnetic ions	Fe
Largest moment component	3.17 μ_B
Method	Laue 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 P c′ c n →

Atom sites · 12 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Fe1	Fe	0.25	0.25	0.3359	−0.74	3.17	0	3.2552
Fe2	Fe	0.25	0.75	0.2166	1.38	2.88	0	3.1936
Fe3	Fe	0.0355	0.6243	0.0235	−0.32	−2.52	0.7	2.6349
Se1	Se	0.0114	0.4526	0.2212
Se2	Se	0.0294	0.1325	0.0431
O1	O	0.0275	0.7076	0.1445
O2	O	0.1957	0.3628	0.2346
O3	O	0.7955	0.3811	0.2204
O4	O	0.0232	0.4775	0.0929
O5	O	−0.019	0.2587	0.0698
O6	O	0.8315	0.1001	−0.0321
O7	O	0.2175	0.1385	−0.0479

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

K. Nawa et al. Sci. Rep. (2021) · doi:10.1038/s41598-021-03058-5

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.808_Fe2Se2O7.mcif from MAGNDATA · entry page

sha256 of this copy: 78a68e5bfb4da495f25a64d8ed5f7fab110b1a99844902840719a4533bcaa6b7
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.808_Fe2Se2O7.mcif.

Fe2O7Se2

Symmetry

Source

Original file

Fe₂O₇Se₂