Research/Sitter/MAGNDATA / 1.445_Y2BaCuO5.mcif

Y₂BaCuO₅

MAGNDATA entry 1.445 · 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.

Structure · 9 properties

Magnetic group	P_a 2₁/c BNS 14.80
Parent space group	P n m a No. 62
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 1/2 1/2] 1k
Cell	a 12.176 · b 11.31 · c 14.26 Å · α 90° · β 90° · γ 90°
Measured at	1.7 K
Magnetic ions	Cu
Largest moment component	0.55 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 P_a 2₁/c →

Atom sites · 9 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ba1	Ba	0.0952	0.125	0.0349
Y1	Y	0.4262	0.125	0.448
Y2	Y	0.2117	0.125	0.3081
Cu1	Cu	0.8405	0.125	0.1063	0	0	0.55	0.55
O1_1	O	0.5681	0.2535	0.4173
O1_2	O	0.9319	0.7465	0.6673
O2_1	O	0.7712	0.2515	0.3216
O2_2	O	0.7288	0.7485	0.5716
O3	O	0.9	0.125	0.461

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

I. Golosovsky et al. Solid State Communications (1993) · doi:10.1016/0038-1098(93)90556-3

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.445_Y2BaCuO5.mcif from MAGNDATA · entry page

sha256 of this copy: 6217b88a4b83a82f90b773948297753eeb2b5f79560696d32210600175f31961
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.445_Y2BaCuO5.mcif.