Materials Data on CaNbO2 by Materials Project
CaNbO2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent O2- atoms to form edge-sharing CaO6 octahedra. There are four shorter (2.36 Å) and two longer (2.38 Å) Ca–O bond lengths. Nb2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. There are two shorter (2.14 Å) and two longer (2.16 Å) Nb–O bond lengths. O2- is bonded to three equivalent Ca2+ and two equivalent Nb2+ atoms to form a mixture of distorted corner and edge-sharing OCa3Nb2 trigonal bipyramids.
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