Simulated XRD pattern using CuKa radiation; 72 peaks retained and 4001 XY points sampled between 10.0° and 90.0° 2θ.
Created by route
Simulate an X-ray diffraction pattern
TiS2 1T-phase CIF (Cycle 20) - 4x4x1 supercell
Supercell 4x4x1 of TiS2 (Space group: P3m1, 96 symmetry operations), vacuum 20.0 Å along axis 2
Ho2Be2O5 predicted structure from PXRD
Predicted CIF from PXRD generated with deCIFer
/decifer/xrd-to-cif