Research/Sitter/MAGNDATA / 0.637_KFeSe2.mcif

KFeSe₂

MAGNDATA entry 0.637 · 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 ≤ 310 K (37 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	C 2/c′ BNS 15.88
Parent space group	C 2/c No. 15
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 7.278 · b 11.611 · c 5.615 Å · α 90° · β 113.7° · γ 90°
Transition	310 K (37 °C)
Measured at	15 K
Magnetic ions	Fe
Largest moment component	3 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	−0.017	0.25	0	3	0	3
K1	K	0	0.362	0.25
Se1	Se	0.169	0.108	0.11

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.

Mirror note

_cell_length_c read 5.6lS(2), two characters wrong; it is 5.615(2). Differs from the Bilbao original.

Original file

⬇ 0.637_KFeSe2.mcif from MAGNDATA · entry page

sha256 of this copy: dea2c126c2beaeac69c30944c8e96cf8af579b308afe5c41686aa9f6222c8e99
This copy was altered (see the mirror note above), so the original will hash differently.