Research/Sitter/MAGNDATA / 1.830_FeBi4S7.mcif

Fe₁Bi₄S₇

MAGNDATA entry 1.830 · 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 ≤ 64 K (−209 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	C_c 2/m BNS 12.63
Point group	2/m1′
Parent space group	C 2/m No. 12
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1 0 1/2] 1k
Cell	a 12.7211 · b 3.9504 · c 23.493 Å · α 90° · β 104.37° · γ 90°
Transition	64 K (−209 °C)
Measured at	6 K
Magnetic ions	Fe
Largest moment component	4.39 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_c 2/m →

Atom sites · 7 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Fe1	Fe	0	0	0.25	0	4.39	0	4.39
Bi1	Bi	0.6207	0	0.4621
Bi2	Bi	0.3204	0	0.3311
S1	S	0.9707	0	0.3454
S2	S	0.2526	0	0.0712
S3	S	0.3527	0	0.2261
S4	S	0	0.5	0

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

Ian Campbell et al. Chem. Mater. (2024) · doi:10.1021/acs.chemmater.4c00249

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.830_FeBi4S7.mcif from MAGNDATA · entry page

sha256 of this copy: ba2d2fa1b0a5ad7b64318850d468bbef924cd202c675debf8245bb2b35c4ec24
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.830_FeBi4S7.mcif.

Fe1Bi4S7

Symmetry

Source

Original file

Fe₁Bi₄S₇