Research/Sitter/MAGNDATA / 0.1077_Cu2(MoO4)(SeO3).mcif

Cu₂Mo₁Se₁O₇

MAGNDATA entry 0.1077 · source

noncoplanar magnet

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

ordered ≤ 23.6 K (−250 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P 2₁′/c BNS 14.77
Point group	2′/m
Parent space group	P 2₁/c No. 14
Spins	noncoplanar · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 8.104 · b 8.991 · c 8.386 Å · α 90° · β 104.74° · γ 90°
Transition	23.6 K (−250 °C)
Measured at	4 K
Magnetic ions	Cu
Largest moment component	0.73 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 2₁′/c →

Atom sites · 11 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Cu1	Cu	0.3169	0.9929	0.3801	0.44	0.18	0.69	0.74
Cu2	Cu	0.3166	0.9933	0.0276	0.06	0	0.73	0.7171
Mo1	Mo	0.1218	0.2864	0.162
Se1	Se	0.3218	0.6729	0.2029
O1	O	0.372	0.8558	0.212
O2	O	0.435	0.6131	0.3887
O3	O	0.438	0.6087	0.078
O4	O	0.2123	0.1078	0.175
O5	O	0.173	0.3907	0.0004
O6	O	0	0.271	0.108
O7	O	0.1875	0.3995	0.341

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

Pharit Piyawongwatthana et al. PHYSICAL REVIEW B (2024) · doi:10.1103/PhysRevB.109.224420

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.1077_Cu2(MoO4)(SeO3).mcif from MAGNDATA · entry page

sha256 of this copy: ea5cf238ad019829e84cef3b350d77b032fe19dd10cf7d12b1650925c4a0d596
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.1077_Cu2(MoO4)(SeO3).mcif.

Cu2Mo1Se1O7

Symmetry

Source

Original file

Cu₂Mo₁Se₁O₇