Research/Sitter/MAGNDATA / 0.28_LiFeSi2O6.mcif

LiFeSi₂O₆

MAGNDATA entry 0.28 · 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 ≤ 18.1 K (−255 °C)Colour: where that sits relative to 25 °C. Saturation: how much margin it has.

Structure · 11 properties

Magnetic group	P 2₁/c′ BNS 14.78
Point group	2/m′
Parent space group	P 2₁/c No. 14
Spins	collinear · net moment 0 μ_B per cell
Propagation	[0 0 0] 1k
Cell	a 9.622 · b 8.664 · c 5.2555 Å · α 90° · β 109.95° · γ 90°
Transition	18.1 K (−255 °C)
Measured at	1.4 K
Magnetic ions	Fe
Largest moment component	4.83 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/c′ →

Atom sites · 10 sites · CSV

site	element	x	y	z	m_a	m_b	m_c	\|m\| (μ_B)
Li1	Li	0.2504	0.009	0.2367
Fe1	Fe	0.2502	0.6479	0.2353	0.52	0.05	4.83	4.6784
Si1	Si	0.0478	0.339	0.2776
Si2	Si	0.5486	0.8387	0.2527
O1	O	0.8673	0.3327	0.1636
O2	O	0.3674	0.8347	0.1351
O3	O	0.116	0.5086	0.3123
O4	O	0.6215	0.0032	0.3537
O5	O	0.1085	0.2667	0.5821
O6	O	0.605	0.7232	0.512

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

G.J. Redhammer et al. Journal of Solid State Chemistry (2009) · doi:10.1016/j.jssc.2009.06.013

Cite the original paper and MAGNDATA, not this mirror.

Original file

⬇ 0.28_LiFeSi2O6.mcif from MAGNDATA · entry page

sha256 of this copy: 103f9dfb4ce20bdf65230fbf57974828e28d91f01e1166482b132443734cddb0
The mirror keeps the bytes Bilbao served, so the original should hash the same unless MAGNDATA has revised the entry since: shasum -a 256 0.28_LiFeSi2O6.mcif.