CaZrSi2O7 crystallizes in the monoclinic C2 space group. Ca(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. Zr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form ZrO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with three equivalent Zr(1)O6 octahedra and  a cornercorner with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-51°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ca(1), one Zr(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one Zr(1), and one Si(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Si(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ca(1), one Zr(1), and one Si(1) atom.
CaZrSi2O7 crystallizes in the monoclinic C2 space group. Ca(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. Both Ca(1)-O(1) bond lengths are 2.30 Å. Both Ca(1)-O(2) bond lengths are 2.65 Å. Both Ca(1)-O(4) bond lengths are 2.31 Å. Zr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form ZrO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra. Both Zr(1)-O(1) bond lengths are 2.11 Å. Both Zr(1)-O(2) bond lengths are 2.10 Å. Both Zr(1)-O(4) bond lengths are 2.16 Å. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with three equivalent Zr(1)O6 octahedra and  a cornercorner with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-51°. The Si(1)-O(1) bond length is 1.65 Å. The Si(1)-O(2) bond length is 1.65 Å. The Si(1)-O(3) bond length is 1.66 Å. The Si(1)-O(4) bond length is 1.63 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ca(1), one Zr(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one Zr(1), and one Si(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Si(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ca(1), one Zr(1), and one Si(1) atom.