CsNdO2 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. Nd(1) is bonded to six equivalent O(1) atoms to form edge-sharing NdO6 octahedra. O(1) is bonded to three equivalent Cs(1) and three equivalent Nd(1) atoms to form a mixture of distorted face, corner, and edge-sharing OCs3Nd3 octahedra. The corner-sharing octahedral tilt angles range from 0-40°.
CsNdO2 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 3.11 Å. Nd(1) is bonded to six equivalent O(1) atoms to form edge-sharing NdO6 octahedra. All Nd(1)-O(1) bond lengths are 2.43 Å. O(1) is bonded to three equivalent Cs(1) and three equivalent Nd(1) atoms to form a mixture of distorted face, corner, and edge-sharing OCs3Nd3 octahedra. The corner-sharing octahedral tilt angles range from 0-40°.