The vibrational spectrum of calcite (CaCO3): an ab initio: quantum-mechanical calculation: Note: Theoretically derived structure _database_code_amcsd 0008879: 5.0492 5.0492 17.3430 90 90 120 R-3c: atom x y z: Ca 0 0 0: C 0 0 .25: O .25642 0 .25: Download AMC data (View Text File) Download CIF data (View Text File)
