Research/Sitter/MAGNDATA / 1.275_Ba6Co6ClO15.5.mcif

Ba₆Co₆ClO_15.5

MAGNDATA entry 1.275 · 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 ¹6/¹m¹m¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 135 K (−138 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 9 properties

Magnetic group	P_c 6 c 2 BNS 188.220
Parent space group	P 6 m 2 No. 187
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 0 1/2] 1k
Cell	a 5.671 · b 5.671 · c 28.912 Å · α 90° · β 90° · γ 120°
Transition	135 K (−138 °C)
Magnetic ions	Co
Largest moment component	2.85 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_c 6 c 2 →

Atom sites · 12 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ba1	Ba	0	0	0.1016
Ba2	Ba	0.6667	0.3333	0.1769
Ba3	Ba	0	0	0.25
Ba4	Ba	0.3333	0.6667	0
Co1	Co	0.3333	0.6667	0.1227	0	0	0.53	0.53
Co2	Co	0.3333	0.6667	0.2084	0	0	0.54	0.54
Co3	Co	0.6667	0.3333	0.0607	0	0	2.85	2.85
Cl1	Cl	0	0	0
O1	O	0.4916	0.5084	0.0834
O2	O	0.1856	0.8144	0.1666
O3	O	0.4824	0.5176	0.25
O4	O	0.7108	0.2892	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

O. Mentre et al. Solid State Sciences (2008) · doi:10.1016/j.solidstatesciences.2007.12.032

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.275_Ba6Co6ClO15.5.mcif from MAGNDATA · entry page

sha256 of this copy: 6165f024ee854015fa5620de322a89864b11c1037526a64821f18851513b54cd
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.275_Ba6Co6ClO15.5.mcif.