Research/Sitter/MAGNDATA / 1.285_YBaCuFeO5.mcif

YBaCuFeO₅

MAGNDATA entry 1.285 · 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 ≤ 475 K (202 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	F_S m m m BNS 69.526
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 7.7396 · b 7.7396 · c 15.2922 Å · α 90° · β 90° · γ 90°
Transition	475 K (202 °C)
Measured at	200 K
Magnetic ions	Cu, Fe
Largest moment component	2.775 μ_B
Method	NSD and 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 F_S m m 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	0.1416	0.964	0	0	0.964
Fe1	Fe	0.25	0.25	0.1282	2.775	0	0	2.775
O1	O	0.25	0.25	0
O2_1	O	0	0.25	0.1807
O2_2	O	0.25	0	0.1807

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

Y-C Lai et al. J. Phys.: Condens. Matter (2017) · doi:10.1088/1361-648X/aa5708

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.285_YBaCuFeO5.mcif from MAGNDATA · entry page

sha256 of this copy: 7dc830309cb4af2e52df23a9e052b888d9bc5cc613253d6d57d9a6d6721ee6ce
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.285_YBaCuFeO5.mcif.