Research/Sitter/MAGNDATA / 1.284_YBaCuFeO5.mcif

YBaCuFeO₅

MAGNDATA entry 1.284 · 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 ≤ 240 K (−33 °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 3/8] 1k
Cell	a 7.7386 · b 7.7386 · c 61.1112 Å · α 90° · β 90° · γ 90°
Transition	240 K (−33 °C)
Measured at	8 K
Magnetic ions	Cu, Fe
Largest moment component	1.92 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 · 24 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Y1_1	Y	0	0	0.0625
Y1_2	Y	0	0	0.1875
Ba1_1	Ba	0	0	0
Ba1_2	Ba	0	0	0.125
Ba1_3	Ba	0	0	0.25
Cu1_1	Cu	0.25	0.25	0.0336
Cu1_2	Cu	0.25	0.25	0.1585
Cu1_3	Cu	0.25	0.25	0.0915
Cu1_4	Cu	0.25	0.25	0.2836
Fe1_1	Fe	0.25	0.25	0.0336	1.92	0	1.35	2.3471
Fe1_2	Fe	0.25	0.25	0.1585	−1.92	0	−1.35	2.3471
Fe1_3	Fe	0.25	0.25	0.0915	−1.92	0	−1.35	2.3471
Fe1_4	Fe	0.25	0.25	0.2836	1.92	0	1.35	2.3471
O1_1	O	0	0.25	0.0395
O1_2	O	0.25	0	0.0395
O1_3	O	0	0.25	0.1645
O1_4	O	0.25	0	0.1645
O1_5	O	0	0.25	0.0855
O1_6	O	0.25	0	0.0855
O1_7	O	0	0.25	0.2895
O1_8	O	0.25	0	0.2895
O2_1	O	0.25	0.25	0
O2_2	O	0.25	0.25	0.125
O2_3	O	0.25	0.25	0.25

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

M.J. Ruiz-Aragon et al. Phys. Rev. B (1998) · doi:10.1103/PhysRevB.58.6291

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.284_YBaCuFeO5.mcif from MAGNDATA · entry page

sha256 of this copy: f17d08506694a4f36147f1fc19db5c96cbeb6314840ccead62be7ef4d088dbb8
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.284_YBaCuFeO5.mcif.