Ba3SbAs is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one arsenic molecule and one Ba3Sb framework. In the Ba3Sb framework, Ba2+ is bonded in a linear geometry to two equivalent Sb3- atoms. Both Ba–Sb bond lengths are 3.25 Å. Sb3- is bonded to six equivalent Ba2+ atoms to form corner-sharing SbBa6 octahedra. The corner-sharing octahedral tilt angles are 0°.
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