Research/Sitter/MAGNDATA / 1.431_Ca2Mn3O8.mcif

Ca₂Mn₃O₈

MAGNDATA entry 1.431 · 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 ≤ 58 K (−215 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	P_S 1 BNS 2.7
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 22.0154 · b 11.6804 · c 4.937 Å · α 90° · β 109.738° · γ 90°
Transition	58 K (−215 °C)
Measured at	4 K
Magnetic ions	Mn
Largest moment component	2.5 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 · 7 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ca1	Ca	0.3623	0	0.6635
Mn1	Mn	0	0	0.5	2.5	0	0	2.5
Mn2	Mn	0	0.131	0	−2.1	0	−0.57	1.9815
O1_1	O	0.0506	0.1111	0.3935
O1_2	O	0.9494	0.1111	0.6065
O2	O	0.0477	0	0.8998
O3	O	0.3016	0	0.9609

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

L.J.V. Stimpson et al. J. Mater. Chem. C (2018) · doi:10.1039/c7tc05187e

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.431_Ca2Mn3O8.mcif from MAGNDATA · entry page

sha256 of this copy: f9fb7859d45f1cb989a0865e5204cf0b48985c46f236be7ddb790abd7070c1d3
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.431_Ca2Mn3O8.mcif.