Research/Sitter/MAGNDATA / 0.750_Ba3CoRu2O9.mcif

Ba₃CoRu₂O₉

MAGNDATA entry 0.750 · 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 ¹m¹m¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 110 K (−163 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P_B n m a BNS 62.454
Point group	mmm1′
Parent space group	P 6₃/m m c No. 194
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1/2 0 0] 1k
Cell	a 5.737 · b 9.9368 · c 14.0932 Å · α 90° · β 90° · γ 90°
Transition	110 K (−163 °C)
Measured at	15 K
Magnetic ions	Co, Ru
Largest moment component	2.84 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_B n m a →

Atom sites · 8 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ba1	Ba	0	0	0.75
Ba2	Ba	0.5	0.1667	0.9103
Ru1	Ru	0.5	0.1667	0.1551	0	1.16	0	1.16
Co1	Co	0	0	0	0	2.84	0	2.84
O1_1	O	0.7698	0.2566	0.75
O1_2	O	0	0.4868	0.75
O2_1	O	0.246	0.4153	0.9164
O2_2	O	0	0.1693	0.9164

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

J. T. Rijssenbeek et al. Journal of Solid State Chemistry (1999) · doi:10.1006/jssc.1999.8309

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.750_Ba3CoRu2O9.mcif from MAGNDATA · entry page

sha256 of this copy: aa63665fe4ce419873642739325244347edb08f2aa7d9da2053472cf1c50902a
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.750_Ba3CoRu2O9.mcif.