Materials Data on CsNdO2 by Materials Project
CsNdO2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Cs–O bond lengths are 3.13 Å. Nd3+ is bonded to six equivalent O2- atoms to form edge-sharing NdO6 octahedra. All Nd–O bond lengths are 2.44 Å. O2- is bonded to three equivalent Cs1+ and three equivalent Nd3+ atoms to form a mixture of distorted face, edge, and corner-sharing OCs3Nd3 octahedra. The corner-sharing octahedra tilt angles range from 0–40°.
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