Research/Sitter/MAGNDATA / 1.121_NaFeSO4F.mcif

NaFeSO₄F

MAGNDATA entry 1.121 · 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 ¹2/¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 36 K (−237 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P_C 2/c BNS 13.74
Point group	2/m1′
Parent space group	C 2/c No. 15
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1 0 0] 1k
Cell	a 6.6865 · b 8.7125 · c 7.1953 Å · α 90° · β 113.52° · γ 90°
Transition	36 K (−237 °C)
Measured at	2 K
Magnetic ions	Fe
Largest moment component	4.187 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_C 2/c →

Atom sites · 6 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Na1	Na	0	0.3371	0.25
Fe1	Fe	0	0	0	1.427	0	4.187	3.8469
S1	S	0	0.6789	0.25
O1	O	0.6068	0.2778	0.1483
O2	O	0.3387	0.081	0.0985
F1	F	0	0.0856	0.25

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. PHYSICAL REVIEW B (2012) · doi:10.1103/PhysRevB.85.094415

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.121_NaFeSO4F.mcif from MAGNDATA · entry page

sha256 of this copy: 5bf71f219f985a131bcca99ac5820f47c296607899ecd20c6d8948bdf88ba443
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.121_NaFeSO4F.mcif.