Research/Sitter/MAGNDATA / 1.815_Ba4CeMn3O12.mcif

Ba₄Ce₁Mn₃O₁₂

MAGNDATA entry 1.815 · source

noncoplanar magnet

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

ordered ≤ 7.8 K (−265 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	C_a 2/c BNS 15.91
Point group	2/m1′
Parent space group	R 3 m No. 166
Spins	noncoplanar · net moment 0 μ_B per cell
Propagation	[1/4 1/4 3/2] 1k
Cell	a 20.1806 · b 11.5704 · c 10.0176 Å · α 90° · β 109.448° · γ 90°
Transition	7.75 K (−265 °C)
Measured at	4.2 K
Magnetic ions	Ce, Mn
Largest moment component	1.33 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_a 2/c →

Atom sites · 11 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ba1_1	Ba	0.8025	0.375	0.618
Ba2_1	Ba	0.5764	0.375	0.468
Ce1_1	Ce	0	0.625	0.25
Mn1_1	Mn	0.25	0.375	0.25	0	0	−0.99	0.99
Mn2_1	Mn	0.3798	0.375	0.337	0.14	−0.18	1.33	1.3027
O1_1	O	0.6867	0.375	0.355
O1_2	O	0.6867	0.2354	0.6342
O1_3	O	0.6867	0.4854	0.1342
O2_1	O	0.5668	0.375	−0.0281
O2_2	O	0.5668	0.008	0.7059
O2_3	O	0.5668	0.258	0.2059

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

C. E. Regier et al. Inorganic Chemistry (2024) · doi:10.1021/acs.inorgchem.4c03915

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.815_Ba4CeMn3O12.mcif from MAGNDATA · entry page

sha256 of this copy: 84e73affc9df8a0284b0a1b89e09ed0c88df816da59e3c623fbf2a4826e3d8c5
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.815_Ba4CeMn3O12.mcif.

Ba4Ce1Mn3O12

Symmetry

Source

Original file

Ba₄Ce₁Mn₃O₁₂