Strain Broadening Model (Quartic form)

 

 

 

The following items correspond to anisotropic strain broadening modelled using a quartic form in reciprocal space. This correspond to an interpretation of the strains as due to static fluctuations and correlations between metric parameters [see J. Rodríguez-Carvajal, M.T. Fernandez-Díaz and J.L. Martínez, J. Phys: Condensed Matter 3, 3215 (1991) ]. The notation used is that of P. Stephens [Peter W. Stephens, J. Appl. Cryst. 32, 281 (1999)].

 

 

 

A maximum of 15 parameters can be given. The input format is different for the different Laue classes.

 

Laue class: -1

S_400,    S_040,      S_004,           S_220,           S_202

S_022,    S_211,      S_121,           S_112,           S_301

S_301,    S_130,      S_103,           S_013,           S_031

 

Laue class: 1 2/m 1

S_400,    S_040,      S_004,           S_220,           S_202

S_022,    S_121,      S_301,           S_103           

 

Laue class: 1 1 2/m

S_400,    S_040,      S_004,           S_220,           S_202

S_022,    S_112,      S_310,           S_130

 

Laue class: mmm

S_400,    S_040,      S_004,           S_220,           S_202,           S_022

 

Laue classes: 4/m, 4/mmm

S_400,    S_004,      S_220,           S_202

 

Laue classes: -3 R, -3m R

S_400,    S_004,      S_112,           S_211

 

Laue classes: -3, -3m1, -31m, 6/m, 6/mmm

S_400,    S_004,      S_112

 

Laue classes: m3, m3m

S_400,    S_220

 

 

 

Colour notes