Materials Data on BaMoO2 by Materials Project
BaMoO2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent O2- atoms to form edge-sharing BaO6 octahedra. There are four shorter (2.69 Å) and two longer (2.80 Å) Ba–O bond lengths. Mo2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. There are two shorter (2.25 Å) and two longer (2.26 Å) Mo–O bond lengths. O2- is bonded to three equivalent Ba2+ and two equivalent Mo2+ atoms to form a mixture of distorted edge and corner-sharing OBa3Mo2 square pyramids.
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