Research/Sitter/MAGNDATA / 0.807_Fe2Se2O7.mcif

Fe₂O₇Se₂

MAGNDATA entry 0.807 · 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 13.26 Å · α 90° · β 90° · γ 90°
Transition	105 K (−168 °C)
Measured at	60 K
Magnetic ions	Fe
Largest moment component	3.8 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 · 9 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Fe1	Fe	0.25	0.25	0.336	−0.82	3.8	0	3.8875
Fe2	Fe	0.25	0.75	0.2169	1.44	3.41	0	3.7016
Fe3	Fe	0.0357	0.6243	0.0234	−0.25	−3.29	0.87	3.4123
Se1	Se	0.0115	0.4525	0.2212
Se2	Se	0.0295	0.1323	0.0433
O1	O	0.0278	0.7076	0.1445
O2	O	0.1957	0.3629	0.2347
O3	O	0.7954	0.3813	0.2204
O4	O	0.0234	0.4776	0.0928

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

⬇ 0.807_Fe2Se2O7.mcif from MAGNDATA · entry page

sha256 of this copy: d64a2eedbd0b381a380b9769e2750f41b668f0de664f5d883cc0a5e5ec93a867
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.807_Fe2Se2O7.mcif.

Fe2O7Se2

Symmetry

Source

Original file

Fe₂O₇Se₂