Research/Sitter/MAGNDATA / 0.806_Fe2Se2O7.mcif

Fe₂O₇Se₂

MAGNDATA entry 0.806 · 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 13.25 Å · α 90° · β 90° · γ 90°
Transition	105 K (−168 °C)
Measured at	4 K
Magnetic ions	Fe
Largest moment component	4.47 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	0.3362	−0.94	4.47	0	4.5678
Fe2	Fe	0.25	0.75	0.2172	1.6	3.96	0	4.271
Fe3	Fe	0.0356	0.6243	0.0234	−0.22	−4.37	0.6	4.4165
Se1	Se	0.0115	0.4527	0.2213
Se2	Se	0.0297	0.1323	0.0435
O1	O	0.0281	0.7078	0.1445
O2	O	0.1956	0.363	0.2347
O3	O	0.7954	0.3815	0.2204
O4	O	0.0234	0.4777	0.0929
O5	O	−0.0195	0.2587	0.0702
O6	O	0.8317	0.0997	−0.0318
O7	O	0.2176	0.1388	−0.0476

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

⬇ 0.806_Fe2Se2O7.mcif from MAGNDATA · entry page

sha256 of this copy: c1b1e1007af4222c52e41e281e0d714b6d26e64e9b5c408f0c4244b66449880f
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.806_Fe2Se2O7.mcif.

Fe2O7Se2

Symmetry

Source

Original file

Fe₂O₇Se₂