Research/Sitter/MAGNDATA / 1.739_Cu9O2(SeO3)4Cl6.mcif

Cu₉Se₄O₁₅Cl₆

MAGNDATA entry 1.739 · source

noncollinear antiferromagnet

All moments add up to a net magnetisation: an ordinary magnet. Spin splitting is the same in every direction (s-wave).

ordered ≤ 37 K (−236 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P_S 1 BNS 2.7
Point group	11′
Parent space group	C 2/m No. 12
Spins	coplanar · net moment 0 μ_B per cell
Propagation	[1/2 1/2 0] 1k
Cell	a 29.8834 · b 12.5298 · c 12.9387 Å · α 90° · β 120.03° · γ 90°
Transition	37 K (−236 °C)
Measured at	4 K
Magnetic ions	Cu
Largest moment component	0.55 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_S 1 →

Atom sites · 18 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Cu1	Cu	0	0	0	0.55	0	−0.3	0.7468
Cu2	Cu	0.0585	0	0.282	0.55	0	−0.3	0.7468
Cu3	Cu	0.108	0	0.771	0.55	0	−0.3	0.7468
Cu4	Cu	0.191	0	0.41	−0.55	0	−0.3	0.4768
Cu5_1	Cu	0.125	0.125	0.5
Cu5_2	Cu	0.375	0.125	0.5	0.55	0	−0.3	0.7468
Se1	Se	0.1255	0	0.138
Se2	Se	0.269	0	0.302
O1	O	0.13	0	0.421
O2_1	O	0.063	0.1485	0.339
O2_2	O	0.937	0.1485	0.661
O3_1	O	0.154	0.0965	0.236
O3_2	O	0.846	0.0965	0.764
O4	O	0.0665	0	0.133
O5	O	0.2565	0	0.413
Cl1	Cl	0.066	0	0.568
Cl2	Cl	0.027	0	0.86
Cl3	Cl	0.32	0	0.046

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

H. C. Wu et al. PHYSICAL REVIEW B (2019) · doi:10.1103/PhysRevB.100.245119

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.739_Cu9O2(SeO3)4Cl6.mcif from MAGNDATA · entry page

sha256 of this copy: bc0177a6a72b8f589aa35eb83b017917941625c88d05cbe782ecc357fc725abf
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.739_Cu9O2(SeO3)4Cl6.mcif.

Cu9Se4O15Cl6

Symmetry

Source

Original file

Cu₉Se₄O₁₅Cl₆