Sample

Choose a material and the atom you want to probe.

Choose your sample

Sample preset

All edges and density source

Li

Mn

O

4.3 $g / cm^{3}$ is an assumed density for the battery example. Enter the density of your sample for planning.

Tables cover H to Cf ( $Z = 1\text{ to }98$ ) from 100 $eV$ to 100 $keV$ .

Battery worked example

Lithium content0.50

x

Mn oxidation+3.50

Share of

M n^{3 +}

50 $%$

Loading the coordination model…

$Mn O_{6}$ is one Mn and its six oxygen neighbors, cut from a solid. Real crystals distort; this shape stays fixed.

Prepare the sample

Loading tabulated X-ray data.

Sample assumptions

Formula and density set the tabulated atomic background. Structure, bonding and oxidation can change the real near-edge spectrum.

The $Li_{x} Mn O_{2}$ example assumes Mn carries all the charge. Oxygen redox, defects and phase changes are outside this model.

The anchor papers simulate the oxygen K-edge of an O-centred $L i_{4} M n_{2} O$ cluster from $L i_{2} Mn O_{3}$ . The $Mn O_{6}$ sketch and Mn teaching curve here are separate examples. Read the research references.