Research/Sitter/MAGNDATA / 1.595_CaCoSO.mcif

CaCoSO

MAGNDATA entry 1.595 · source

noncoplanar magnet

Spins pointing in three dimensions, not confined to a plane.

Structure · 9 properties

Magnetic group	C_c c BNS 9.40
Parent space group	P 6₃ m c No. 186
Spins	noncoplanar · net moment 0 μ_B per cell
Propagation	[1/3 1/3 1/2] · [0 0 1/2] 1k
Cell	a 6.464 · b 11.195 · c 22.17 Å · α 90° · β 90° · γ 90°
Measured at	8 K
Magnetic ions	Co
Largest moment component	2.2 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 C_c c →

Atom sites · 16 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ca1_1	Ca	0.6667	0	0.1334
Ca1_2	Ca	0.5	0.8333	0.3834
Ca1_3	Ca	0.1667	0.1667	0.1334
Ca1_4	Ca	0	0	0.3834
Co1_1	Co	0.8333	0.1667	0	1.1	−1.9	−1.61	2.7225
Co1_2	Co	0.3333	0	0	−2.2	0	1.61	2.7262
Co1_3	Co	0.8333	0.1667	0.25	1.1	1.9	−1.61	2.7225
Co1_4	Co	0.3333	0	0.25	−2.2	0	1.61	2.7262
S1_1	S	0.6667	0	0.2891
S1_2	S	0.5	0.8333	0.5391
S1_3	S	0.1667	0.1667	0.2891
S1_4	S	0	0	0.5391
O1_1	O	0.3333	0	0.1658
O1_2	O	0.3333	0	0.4158
O1_3	O	0.8333	0.1667	0.1658
O1_4	O	0.8333	0.1667	0.4158

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

⬇ 1.595_CaCoSO.mcif from MAGNDATA · entry page

sha256 of this copy: 2d118b322ac5e12b1a7693235372ea4c4efc3e0918c6e1652dc3bca218ca5f3c
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.595_CaCoSO.mcif.