Lattice Spacing of 1D/2D/3D Lattices from Diffraction Peaks


This Javascript calculates the lattice spacings from 1D (lamellar), 2D (square or hexagonal) and 3D cubic lattices from the first 5 reflections of the diffraction pattern (for up to 12 reflections click here). Select the lattice type: 1D-lamellar: L(h/0/0), 2D-square: S(h/k/0), 2D-hexagonal: H(h/k/0) or 3D-cubic: C(h/k/l) and enter the respective q-values of the first five X(h/k/l) diffraction peaks. If one or more peak(s) is/are not detectable or not permitted (as for some cubic lattices) enter -1. The lattice spacing will be calculated by a linear fit from q vs sqrt (h*h + k*k + l*l) including the origin q=0 for h=k=l=0. The values of the slope, of the intercept and the resulting lattice spacing will be displayed and the fit will be plotted. If the units of the entered q-values are in 1/A or in 1/nm if the value of the lattice spacing is also in A or in nm, respectively.

Input Results
peak 1: L(1)/S(1/0)/H(1/0)/C(1/0/0)
peak 2: L(2)/S(1/1)/H(1/1)/C(1/1/0)
peak 3: L(3)/S(2/0)/H(2/0)/C(1/1/1)
peak 4: L(4)/S(2/1)/H(2/1)/C(2/0/0)
peak 5: L(5)/S(2/2)/H(3/0)/C(2/1/0)
intercept
slope
correlation
lattice spacing
peaks



Author: M.Kriechbaum, TU-Graz (2024), e-mail: manfred.kriechbaum@tugraz.at