Materials Data on CaMoO2 by Materials Project
CaMoO2 crystallizes in the tetragonal I4_1/amd 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 (2.40 Å) and two longer (2.44 Å) Ca–O bond lengths. Mo2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Mo–O bond lengths are 2.23 Å. O2- is bonded to three equivalent Ca2+ and two equivalent Mo2+ atoms to form a mixture of edge and corner-sharing OCa3Mo2 square pyramids.
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