CaF2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. Ca(1) is bonded in a 9-coordinate geometry to four equivalent F(2) and five equivalent F(1) atoms. There are two inequivalent F sites. In the first F site, F(2) is bonded to four equivalent Ca(1) atoms to form a mixture of corner and edge-sharing FCa4 tetrahedra. In the second F site, F(1) is bonded in a 5-coordinate geometry to five equivalent Ca(1) atoms.
CaF2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. Ca(1) is bonded in a 9-coordinate geometry to four equivalent F(2) and five equivalent F(1) atoms. There are three shorter (2.29 Å) and one longer (2.34 Å) Ca(1)-F(2) bond length. There are a spread of Ca(1)-F(1) bond distances ranging from 2.37-2.72 Å. There are two inequivalent F sites. In the first F site, F(2) is bonded to four equivalent Ca(1) atoms to form a mixture of corner and edge-sharing FCa4 tetrahedra. In the second F site, F(1) is bonded in a 5-coordinate geometry to five equivalent Ca(1) atoms.