Research/Sitter/MAGNDATA / 1.97_Li2MnO3.mcif

Li₂MnO₃

MAGNDATA entry 1.97 · 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 ¹2/¹m × ²1: each symmetry marked ¹ keeps every spin, ² swaps up and down.

ordered ≤ 36 K (−237 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	C_c 2/m BNS 12.63
Point group	2/m1′
Parent space group	C 2/m No. 12
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 0 1/2] 1k
Cell	a 4.9166 · b 8.5065 · c 10.0234 Å · α 90° · β 109.38° · γ 90°
Transition	36 K (−237 °C)
Measured at	6 K
Magnetic ions	Mn
Largest moment component	2.49 μ_B
Method	NPD and NSD

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_c 2/m →

Atom sites · 6 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Mn1	Mn	0	0.1661	0	0.8	0	2.49	2.3491
Li1	Li	0	0.5	0
Li2	Li	0	0	0.25
Li3	Li	0	0.6617	0.25
O1	O	0.219	0	0.113
O2	O	0.2533	0.3238	0.1115

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

S. Lee et al. J. Phys.: Condens. Matter (2012) · doi:10.1088/0953-8984/24/45/456004

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 1.97_Li2MnO3.mcif from MAGNDATA · entry page

sha256 of this copy: ab25a333cd0f41d4fdd1381ca924396bbd3cd8af91093a223e09a5b0454199db
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 1.97_Li2MnO3.mcif.