Research/Sitter/MAGNDATA / 0.211_Ca2MnO4.mcif

Ca₂MnO₄

MAGNDATA entry 0.211 · 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 ¹4/¹m¹m¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 110 K (−163 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 10 properties

Magnetic group	I 4₁′/a′ c d′ BNS 142.568
Parent space group	I 4₁/a c d No. 142
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 5.1868 · b 5.1868 · c 24.1228 Å · α 90° · β 90° · γ 90°
Transition	110 K (−163 °C)
Measured at	1.5 K
Magnetic ions	Mn
Largest moment component	2.4 μ_B
Method	NPD, EM

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 I 4₁′/a′ c d′ →

Atom sites · 4 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Ca1	Ca	0	0.25	0.5511
Mn1	Mn	0	0.25	0.375	0	0	2.4	2.4
O1	O	0	0.25	0.4556
O2	O	0.21	0.46	0.125

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. Autret et al. J. Solid State Chem. (2004) · doi:10.1016/j.jssc.2004.02.012

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.211_Ca2MnO4.mcif from MAGNDATA · entry page

sha256 of this copy: 8a646ec7a24171f9e6f50ea2481c198852a03afe241ad273e1ce4d37bb8568ec
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.211_Ca2MnO4.mcif.