Single-Crystal Diffraction

Kinematic diffraction from any CIF you upload. Reciprocal-lattice sections down any zone axis, electron diffraction and powder patterns, for X-rays, neutrons and electrons.

Upload a CIF and look at its diffraction pattern. Choose any zone axis [uvw] and any layer, so [100] at layer 0 gives the 0kl section and layer 3 the 3kl one, and [110] or [123] give the diagonal cuts. Switch between X-rays, neutrons and electrons, or between an undistorted reciprocal-lattice section, a selected-area electron pattern with its higher-order Laue zones, and a powder trace.

The symmetry in the file is expanded to P1 before the structure factors are summed, so a CIF giving only an asymmetric unit is handled correctly. The numbers agree with pymatgen to better than 0.2 on a 0-100 intensity scale across every bundled structure.

Works best on a desktop browser. Nothing you upload leaves your machine: the CIF is read in the browser.