Research/Sitter/MAGNDATA / 1.682_Na2CuSO4Cl2.mcif

Na₂CuSO₄Cl₂

MAGNDATA entry 1.682 · 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.

ordered ≤ 0.5 K (−273 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P_b m n 2₁ BNS 31.129
Point group	mm21′
Parent space group	P n m a No. 62
Spins	collinear · net moment 0 μ_B per cell
Propagation	[1/2 0 0] 1k
Cell	a 13.975 · b 5.5657 · c 15.9716 Å · α 90° · β 90° · γ 90°
Transition	0.54 K (−273 °C)
Measured at	0.3 K
Magnetic ions	Cu
Largest moment component	1 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 m n 2₁ →

Atom sites · 18 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Na1_1	Na	0.0683	0.25	0.8936
Na1_2	Na	0.9317	0.75	0.1064
Na2_1	Na	0.3001	0.25	0.2159
Na2_2	Na	0.6999	0.75	0.7841
Cu1_1	Cu	0.3178	0.25	0.9658	0	1	0	1
Cu1_2	Cu	0.6822	0.75	0.0342	0	−1	0	1
S1_1	S	0.3255	0.25	0.8037
S1_2	S	0.6745	0.75	0.1963
O1_1	O	0.4054	0.25	0.8651
O1_2	O	0.5946	0.75	0.1349
O2_1	O	0.2394	0.25	0.8596
O2_2	O	0.7605	0.75	0.1404
O3_1	O	0.4232	0.5359	0.2521
O3_2	O	0.5768	0.0359	0.7479
Cl1_1	Cl	0.4296	0.25	0.0642
Cl1_2	Cl	0.5704	0.75	0.9358
Cl2_1	Cl	0.1885	0.25	0.0478
Cl2_2	Cl	0.8115	0.75	0.9522

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

M. Fujihala et al. PHYSICAL REVIEW B (2022) · doi:10.1103/PhysRevB.105.144410

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.682_Na2CuSO4Cl2.mcif from MAGNDATA · entry page

sha256 of this copy: 3e123ba6972447e168485686f87bef2c9537dfb2b1a9fae3c21ad96db129daaf
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.682_Na2CuSO4Cl2.mcif.