Research/Sitter/MAGNDATA / 1.594_BaCoSO.mcif

BaCoSO

MAGNDATA entry 1.594 · 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_a b c m BNS 57.386
Point group	mmm1′
Parent space group	C m c m No. 63
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1/2 0 0] 1k
Cell	a 7.9477 · b 12.6976 · c 6.07894 Å · α 90° · β 90° · γ 90°
Measured at	3.5 K
Magnetic ions	Co
Largest moment component	2.75 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 b c m →

Atom sites · 4 sites · CSV

site	element	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ba1	Ba	0.3866	0.25
Co1	Co	0.0954	0.25	0	0	2.75	2.75
S1	S	0.6912	0.25
O1	O	0	0

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

E. J. T. Salter et al. Inorg. Chem. (2016) · doi:10.1021/acs.inorgchem.5b02615

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.594_BaCoSO.mcif from MAGNDATA · entry page

sha256 of this copy: bf34200b3ee48d23f5e2f753363cb83241e11d4eaf8bce155c568080a15f1af4
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.594_BaCoSO.mcif.