Research/Sitter/MAGNDATA / 1.420_YBa2Cu3O6.mcif

YBa₂Cu₃O₆

MAGNDATA entry 1.420 · 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 ≤ 420 K (147 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	C_a m m m BNS 65.489
Parent space group	P 4/m m m No. 123
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1/2 1/2 0] 1k
Cell	a 7.7188 · b 7.7188 · c 11.814 Å · α 90° · β 90° · γ 90°
Transition	420 K (147 °C)
Measured at	300 K
Magnetic ions	Cu
Largest moment component	0.54 μ_B
Method	NPD and NSD

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 m m m →

Atom sites · 7 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Cu1	Cu	0	0	0
Cu2	Cu	0	0	0.3611	0	0.54	0	0.54
Y1	Y	0.25	0.25	0.5
Ba1	Ba	0.25	0.25	0.1946
O1	O	0	0	0.1524
O2_1	O	0	0.25	0.3798
O2_2	O	0.25	0	0.3798

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

P. Burlet et al. “Physica (1988) · doi:10.1016/0921-4534(88)90212-2

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.420_YBa2Cu3O6.mcif from MAGNDATA · entry page

sha256 of this copy: e648f57f889f2c2bcd4c1ae43caaf3bb86890361578f2cb0240f4eb3754263fd
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.420_YBa2Cu3O6.mcif.