Research/Sitter/MAGNDATA / 0.749_Ba3CoRu2O9.mcif

Ba₃CoRu₂O₉

MAGNDATA entry 0.749 · 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.

Structure · 10 properties

Magnetic group	P_B n m a BNS 62.454
Point group	mmm1′
Parent space group	C m c m No. 63
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1 0 0] 1k
Cell	a 5.7456 · b 9.9177 · c 14.0862 Å · α 90° · β 90° · γ 90°
Measured at	2 K
Magnetic ions	Co, Ru
Largest moment component	2.7 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	0.25
Ba2	Ba	0	0.3342	0.0897
Co1	Co	0	0	0	0	2.7	0	2.7
Ru1	Ru	0	0.3284	0.845	0	−1.44	0	1.44
O1	O	0	0.5136	0.25
O2	O	0.27	0.2477	0.25
O3	O	0	0.8335	0.0833
O4	O	0.2547	0.0892	0.0833

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. Lightfoot et al. JOURNAL OF SOLID STATE CHEMISTRY (1990) · doi:10.1016/0022-4596(90)90309-L

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.749_Ba3CoRu2O9.mcif from MAGNDATA · entry page

sha256 of this copy: af60be59abbefd196b886721fd6878259f44e353f8e8a2470345556bf0b585fa
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.749_Ba3CoRu2O9.mcif.