ZrSiO is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. Zr(1) is bonded in a 5-coordinate geometry to four equivalent Si(1) and five equivalent O(1) atoms. Si(1) is bonded to four equivalent Zr(1) and four equivalent Si(1) atoms to form distorted SiZr4Si4 hexagonal bipyramids that share corners with four equivalent Si(1)Zr4Si4 hexagonal bipyramids, corners with twelve equivalent O(1)Zr5 trigonal bipyramids, edges with four equivalent Si(1)Zr4Si4 hexagonal bipyramids, edges with four equivalent O(1)Zr5 trigonal bipyramids, and faces with four equivalent Si(1)Zr4Si4 hexagonal bipyramids. O(1) is bonded to five equivalent Zr(1) atoms to form distorted OZr5 trigonal bipyramids that share corners with twelve equivalent Si(1)Zr4Si4 hexagonal bipyramids, corners with four equivalent O(1)Zr5 trigonal bipyramids, edges with four equivalent Si(1)Zr4Si4 hexagonal bipyramids, and edges with eight equivalent O(1)Zr5 trigonal bipyramids.
ZrSiO is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. Zr(1) is bonded in a 5-coordinate geometry to four equivalent Si(1) and five equivalent O(1) atoms. All Zr(1)-Si(1) bond lengths are 2.81 Å. There is one shorter (2.23 Å) and four longer (2.42 Å) Zr(1)-O(1) bond lengths. Si(1) is bonded to four equivalent Zr(1) and four equivalent Si(1) atoms to form distorted SiZr4Si4 hexagonal bipyramids that share corners with four equivalent Si(1)Zr4Si4 hexagonal bipyramids, corners with twelve equivalent O(1)Zr5 trigonal bipyramids, edges with four equivalent Si(1)Zr4Si4 hexagonal bipyramids, edges with four equivalent O(1)Zr5 trigonal bipyramids, and faces with four equivalent Si(1)Zr4Si4 hexagonal bipyramids. All Si(1)-Si(1) bond lengths are 2.35 Å. O(1) is bonded to five equivalent Zr(1) atoms to form distorted OZr5 trigonal bipyramids that share corners with twelve equivalent Si(1)Zr4Si4 hexagonal bipyramids, corners with four equivalent O(1)Zr5 trigonal bipyramids, edges with four equivalent Si(1)Zr4Si4 hexagonal bipyramids, and edges with eight equivalent O(1)Zr5 trigonal bipyramids.