Research/Sitter/MAGNDATA / 0.1045_La0.5Sr3.5Fe3O7.5F2.6.mcif

La_0.5Sr_3.5Fe₃O_7.5F_2.6

MAGNDATA entry 0.1045 · source

noncollinear antiferromagnet

All moments add up to a net magnetisation: an ordinary magnet. Spin splitting is the same in every direction (s-wave).

ordered > 450 K (177 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P b c a1 BNS 61.433
Point group	mmm1
Parent space group	P b c a No. 61
Spins	coplanar · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 5.5374 · b 5.54407 · c 29.25407 Å · α 90° · β 90° · γ 90°
Transition	>450 K (177 °C)
Measured at	300 K
Magnetic ions	Fe
Largest moment component	1.8 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 b c a1 →

Atom sites · 12 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Fe1	Fe	0	0	0.5	0	1.5	−1.2	1.9209
Fe2	Fe	0.4944	0.0064	0.1317	0	1.8	1.4	2.2804
Sr1	Sr	0	0.9982	0.0694
La1	La	0	0.9982	0.0694
Sr2	Sr	0.0134	0.011	0.197
La2	La	0.0134	0.011	0.197
O1	O	0.256	0.272	0.1407
O2	O	0.256	0.241	0.3612
O3	O	0.47	0.018	0.0666
O4	O	0.2186	0.303	0.4934
F1	F	0.016	0.071	0.284
F2	F	0.218	0.265	0.2518

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

A. Bivour et al. Inorg. Chem. (2024) · doi:10.1021/acs.inorgchem.4c02835

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.1045_La0.5Sr3.5Fe3O7.5F2.6.mcif from MAGNDATA · entry page

sha256 of this copy: 8d39d32cd367620c09d15d24ea3f4b28c72d06341bbe4fcd5854449c87868f15
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.1045_La0.5Sr3.5Fe3O7.5F2.6.mcif.