CsTlO2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Cs(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Tl(1) is bonded to six equivalent O(1) atoms to form edge-sharing TlO6 octahedra. O(1) is bonded to three equivalent Cs(1) and three equivalent Tl(1) atoms to form a mixture of distorted edge, corner, and face-sharing OCs3Tl3 octahedra. The corner-sharing octahedral tilt angles range from 0-40°.
CsTlO2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Cs(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. All Cs(1)-O(1) bond lengths are 3.01 Å. Tl(1) is bonded to six equivalent O(1) atoms to form edge-sharing TlO6 octahedra. All Tl(1)-O(1) bond lengths are 2.35 Å. O(1) is bonded to three equivalent Cs(1) and three equivalent Tl(1) atoms to form a mixture of distorted edge, corner, and face-sharing OCs3Tl3 octahedra. The corner-sharing octahedral tilt angles range from 0-40°.