| "Calculate d values based on lattice parameters for
X-Ray Powder Diffraction": Version vom 03.01.2009
Usage: java pdf2.DHKL dmin dmax a b c alfa beta gamma
\"space group\"
Eingabe - Beispiel:
java pdf2.DHKL 1.8 5.2 5.0 6.0 4.2 90.0 90.0 90.0 "P n
c 2"
Ausgabe - Beispiel:
|
DHKL Calculation with using the extinctions.
Version 03.01.2009. Dr.V.Steinhauer |
|
Unit-cell parameters: a b c alfa beta gamma
|
|
5,000 6,000 4,200 90,00 90,00 90,00 |
|
The space group was found in the list and it is ok:P n c 2
|
| For experts:
Extinction:Ih00 I0k0 I00l Ihk0 Ih0l I0kl Ihhl Itrig
|
| 0 2 2 0 3 2 0 0
|
| hmax kmax lmax |
| 3 4 3
|
| hmin kmin lmin
|
| 0 0 0 |
| Reciprocal parameters:a1 b1 c1 alfa1 beta1 gamma1 |
| 0,2000 0,1667 0,2381 90,0 90,0 90,0
|
| d h,k,l |
| 5,000 indicies 1 0 0
|
| 3,841 indicies 1 1 0
|
| 3,441 indicies
0 1 1 |
| 3,000 indicies
0 2 0 |
| 2,834 indicies
1 1 1 |
| 2,572 indicies
1 2 0 |
| 2,500 indicies
2 0 0 |
| 2,308 indicies
2 1 0 |
| 2,194 indicies
1 2 1 |
| .................. |
| 1,806 indicies
0 3 1 |
| full number of
reflexes: 16 |
|
Download:
DHKL.java |
