Zr3O is Upper Bainite structured and crystallizes in the hexagonal P6_322 space group. Zr(1) is bonded in a distorted bent 120 degrees geometry to two equivalent O(1) atoms. O(1) is bonded to six equivalent Zr(1) atoms to form corner-sharing OZr6 octahedra. The corner-sharing octahedral tilt angles are 47°.
Zr3O is Upper Bainite structured and crystallizes in the hexagonal P6_322 space group. Zr(1) is bonded in a distorted bent 120 degrees geometry to two equivalent O(1) atoms. Both Zr(1)-O(1) bond lengths are 2.27 Å. O(1) is bonded to six equivalent Zr(1) atoms to form corner-sharing OZr6 octahedra. The corner-sharing octahedral tilt angles are 47°.