Research/Sitter/MAGNDATA / 1.472_CaOFeS.mcif

CaOFeS

MAGNDATA entry 1.472 · 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 ¹m¹m¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 40 K (−233 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	P_C c a 2₁ BNS 29.109
Parent space group	P 6₃ m c No. 186
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1/2 1/2 0] 1k
Cell	a 7.5033 · b 7.5033 · c 11.3846 Å · α 90° · β 90° · γ 120°
Transition	40 K (−233 °C)
Measured at	6 K
Magnetic ions	Fe
Largest moment component	2.59 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 c a 2₁ →

Atom sites · 4 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ca1	Ca	0.1667	0.3333	0.2665
O1	O	0	0	0.3347
Fe1	Fe	0	0	0	0	0	2.59	2.59
S1	S	0.1667	0.3333	0.59

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

S.F. Jin et al. PHYSICAL REVIEW B (2015) · doi:10.1103/PhysRevB.91.094420

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.472_CaOFeS.mcif from MAGNDATA · entry page

sha256 of this copy: 3659ce2fd88d73f5aeb866cd23694dcee9a99e377be84d861adea175831fe902
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.472_CaOFeS.mcif.