Research/Sitter/MAGNDATA / 1.155_LiFeSO4F.mcif

LiFeSO₄F

MAGNDATA entry 1.155 · source

antiferromagnet

No net magnetisation, and up and down sublattices are related by a shift or by inversion, so the bands stay spin-degenerate: a conventional antiferromagnet.

Spin group ¹1̄ × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 25 K (−248 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P_S 1 BNS 2.7
Point group	11′
Parent space group	P 1 No. 2
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1/2 1/2 0] 1k
Cell	a 10.3601 · b 10.9833 · c 7.2289 Å · α 106.49° · β 107.19° · γ 97.91°
Transition	25 K (−248 °C)
Measured at	2 K
Magnetic ions	Fe
Largest moment component	2.73 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_S 1 →

Atom sites · 9 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Li1	Li	0.135	0.317	0.757
Fe1	Fe	0	0	0.5	1.73	−2.73	1.36	3.7832
Fe2	Fe	0	0	0	−1.73	2.73	−1.36	3.7832
S1	S	0.1622	0.3191	0.2495
O1	O	0.2988	0.3735	0.4119
O2	O	0.0532	0.3204	0.3448
O3	O	0.1599	0.1782	0.1458
O4	O	0.1395	0.3854	0.1016
F1	F	0.063	0.4572	0.7552

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

B.C. Melot et al. Chem. Mater. (2011) · doi:10.1021/cm200465u

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.155_LiFeSO4F.mcif from MAGNDATA · entry page

sha256 of this copy: 07d0a939a4d22a92f49fae2d7d2c87feff9de36192535552b083386543f25ae1
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.155_LiFeSO4F.mcif.