Research/Sitter/MAGNDATA / 1.282_YBaCuFeO5.mcif

YBaCuFeO₅

MAGNDATA entry 1.282 · 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 ¹4/¹m¹m¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 441 K (168 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	C_a 2/m BNS 12.64
Parent space group	P 4/m m m No. 123
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1/2 1/2 1/2] 1k
Cell	a 7.7502 · b 7.7502 · c 15.358 Å · α 90° · β 90° · γ 90°
Transition	441 K (168 °C)
Measured at	300 K
Magnetic ions	Cu, Fe
Largest moment component	2.65 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_a 2/m →

Atom sites · 7 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Y1	Y	0	0	0.25
Ba1	Ba	0	0	0
Cu1	Cu	0.25	0.25	0.1427
Fe1	Fe	0.25	0.25	0.1263	2.65	0	1.48	3.0353
O1	O	0.25	0.25	0
O2_1	O	0	0.25	0.1578
O2_2	O	0.25	0	0.1578

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

V. Caignaert et al. J. Solid State Chem. (1995) · doi:10.1006/jssc.1995.1004

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.282_YBaCuFeO5.mcif from MAGNDATA · entry page

sha256 of this copy: 9b94640d9fa02e6b1666ac7058a90c84a29fba527000bc5094510beeb0c29252
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.282_YBaCuFeO5.mcif.