I measured a grazing exit (113) RSM of Ge sample grown on silicon substrate. The RSM was drew using a JV contour software. Now I was trying to add a relaxation line on it. Firstly, I calculated the reciprocal space coordinates: Qx and Qz of Si and Ge, using the following equations:
Qx=2π/λ(cos(w)-cos(2theta-w)); Qz=2π/λ(sin(w)+sin(2theta-w)).
where, λ=1.54056 Å
But i got the coordinates cannot match with those shown on the RSM.
Take Si coordinates as an example.
For grazing exit situation, the corresponding w and 2theta angle are 53.2994 and 56.12 respectively.
The calculated qx and qz value are -0.18461 and 1.724236.
This is obviously mismatch with the obtained Si coordinates shown on the RSM.
So what is the problem there?