Electron density calculator for the 3D-cubic lattice Im3m (Q229)
Enter the number of peaks (from 1/1/0 up to the 12th reflection = 3/3/2) and the value of the 3D-lattice spacing (d). Enter the peak intensities
(>= 0 as obtained with a 1D-detector in transmission mode) and select the signs of the scattering amplitudes (+ or -).
The intensity values will be multiplicity- and Lorentz-corrected. If 'F' is selected for the signs of the intensities,
the entered values are assumed to be already the scattering amplitudes (corrected and with signs!). Optionally also I(0) or F(0) as a
constant offset can be entered. Enter the value for rz
(0 < rz < d/2, rz=0: means center of the unit cell) where the slice of the electron density (parallel to the rx-ry plane), multiplied by a constant
factor f should be calculated. If f=0 then the electron density is divided my the volume of the unit cell.
Note that for the cubic spacegroup 229 the rx-ry, rx-rz and ry-rz planes are symmetry equivalent. For the calculation/plotting of
5 equidistant slices between rz and rz+d/2 click here
For 2*Nr points rho(r) at rz from -rmax = -rx = -ry to rmax = rx = ry will be calculated. If the calculation takes too long
(on a slow computer) decrease Nr.
The values are listed/plotted in rho(r) vs rx, ry in arbitrary units and can be copied
and pasted from the window into any text-file for further processing
and graphical displaying.