CaSiO4 crystallizes in the orthorhombic Fdd2 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(5), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing SiO4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Ca(1) and two equivalent Si(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one Si(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one Si(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one Si(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to two equivalent Ca(1) atoms.
CaSiO4 crystallizes in the orthorhombic Fdd2 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(5), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. The Ca(1)-O(1) bond length is 2.87 Å. The Ca(1)-O(5) bond length is 2.71 Å. There is one shorter (2.29 Å) and one longer (2.59 Å) Ca(1)-O(2) bond length. There is one shorter (2.35 Å) and one longer (2.62 Å) Ca(1)-O(3) bond length. There is one shorter (2.43 Å) and one longer (2.49 Å) Ca(1)-O(4) bond length. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing SiO4 tetrahedra. The Si(1)-O(1) bond length is 1.66 Å. The Si(1)-O(2) bond length is 1.61 Å. The Si(1)-O(3) bond length is 1.62 Å. The Si(1)-O(4) bond length is 1.65 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Ca(1) and two equivalent Si(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one Si(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one Si(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one Si(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to two equivalent Ca(1) atoms.