Research/Sitter/MAGNDATA / 0.1075_Cs2Fe2(MoO4)3.mcif

Cs₂Fe₂Mo₃O₁₂

MAGNDATA entry 0.1075 · source

noncoplanar magnet

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

ordered ≤ 1 K (−272 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P 2₁ 3 . 1 BNS 198.9
Point group	231
Parent space group	P 2₁ 3 No. 198
Spins	noncoplanar · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 10.8836 · b 10.8836 · c 10.8836 Å · α 90° · β 90° · γ 90°
Transition	1 K (−272 °C)
Measured at	0.3 K
Magnetic ions	Fe
Largest moment component	1.715 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 3 . 1 →

Atom sites · 9 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Cs1	Cs	0.8211	0.8211	0.8211
Cs2	Cs	0.0422	0.0422	0.0422
Mo1	Mo	0.2998	0.6225	0.5271
Fe1	Fe	0.3372	0.3372	0.3372	1.715	1.715	1.715	2.9705
Fe2	Fe	0.612	0.612	0.612	0.127	0.127	0.127	0.22
O1	O	0.2749	0.4818	0.4511
O2	O	0.4554	0.6712	0.516
O3	O	0.2557	0.6031	0.681
O4	O	0.2081	0.7355	0.4516

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

Lenka Kubickova et al. Chem. Mater. (2024) · doi:10.1021/acs.chemmater.4c01262

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.1075_Cs2Fe2(MoO4)3.mcif from MAGNDATA · entry page

sha256 of this copy: b93e27f22de903d0e6c5f3a007df6370c3ce313323133b90a5c22d00c26cba2a
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.1075_Cs2Fe2(MoO4)3.mcif.

Cs2Fe2Mo3O12

Symmetry

Source

Original file

Cs₂Fe₂Mo₃O₁₂