SiO2 is Low Tridymite-like structured and crystallizes in the tetragonal I4_1/amd space group. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to four equivalent O(3) atoms to form corner-sharing SiO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(3) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. In the second O site, O(1) is bonded in a linear geometry to two equivalent Si(1) atoms. In the third O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Si(1) atoms.
SiO2 is Low Tridymite-like structured and crystallizes in the tetragonal I4_1/amd space group. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form corner-sharing SiO4 tetrahedra. The Si(1)-O(1) bond length is 1.59 Å. The Si(1)-O(3) bond length is 1.61 Å. Both Si(1)-O(2) bond lengths are 1.62 Å. In the second Si site, Si(2) is bonded to four equivalent O(3) atoms to form corner-sharing SiO4 tetrahedra. All Si(2)-O(3) bond lengths are 1.61 Å. There are three inequivalent O sites. In the first O site, O(3) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. In the second O site, O(1) is bonded in a linear geometry to two equivalent Si(1) atoms. In the third O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Si(1) atoms.