Research/Sitter/MAGNDATA / 1.348_CuFeO2.mcif

CuFeO₂

MAGNDATA entry 1.348 · 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 ≤ 16 K (−257 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	C_c 2/c BNS 15.90
Parent space group	R 3 m No. 166
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1/5 -2/5 3/2] 1k
Cell	a 8.0881 · b 8.0881 · c 34.64 Å · α 90° · β 90° · γ 141.79°
Transition	16 K (−257 °C)
Measured at	13 K
Magnetic ions	Fe
Largest moment component	1 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/c →

Atom sites · 9 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Cu1_1	Cu	0	0	0.25
Cu1_2	Cu	0.9333	0.7333	0.0833
Cu1_3	Cu	0.2	0.8	0.25
Fe1_1	Fe	0	0	0	0	0	1	1
Fe1_2	Fe	0.9333	0.7333	0.3333	0	0	1	1
Fe1_3	Fe	0.2	0.8	0	0	0	−1	1
O1_1	O	0	0	0.303
O1_2	O	0.9333	0.7333	0.6363
O1_3	O	0.2	0.8	0.303

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. Mitsuda et al. J. Phys. Soc. Japan (1991) · doi:10.1143/JPSJ.60.1885

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.348_CuFeO2.mcif from MAGNDATA · entry page

sha256 of this copy: d51a48826eaae44b585ad5d8650e64c6e5b388917126fbe5493ac135b93b751f
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.348_CuFeO2.mcif.