Research/Sitter/MAGNDATA / 0.633_KFeS2.mcif

KFeS₂

MAGNDATA entry 0.633 · 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 ≤ 250 K (−23 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	C 2′/c BNS 15.87
Parent space group	C 2/c No. 15
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 7.028 · b 11.201 · c 5.388 Å · α 90° · β 113.3° · γ 90°
Transition	250 K (−23 °C)
Measured at	11 K
Magnetic ions	Fe
Largest moment component	1.47 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 C 2′/c →

Atom sites · 3 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Fe1	Fe	0	0.999	0.25	0.85	0	−1.47	1.9677
K1	K	0	0.35	0.25
S1	S	0.198	0.115	0.122

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

W. Bronger et al. JOURNAL OF SOLID STATE CHEMISTRY (1987) · doi:10.1016/0022-4596(87)90065-X

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.633_KFeS2.mcif from MAGNDATA · entry page

sha256 of this copy: 014a5199996c738047f673ede3c4a6ca4a01dd93fd03d0ea244a1ef20f828f95
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.633_KFeS2.mcif.