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DOE OSTI2020

Materials Data on Ba3BiSb by Materials Project

Ba3SbBi is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one bismuth molecule and one Ba3Sb framework. In the Ba3Sb framework, Ba is bonded in a linear geometry to two equivalent Sb atoms. Both Ba–Sb bond lengths are 3.27 Å. Sb is bonded to six equivalent Ba atoms to form corner-sharing SbBa6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Ba3BiSb by Materials Project

Ba3BiSb is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one antimony molecule and one Ba3Bi framework. In the Ba3Bi framework, Ba is bonded in a linear geometry to two equivalent Bi atoms. Both Ba–Bi bond lengths are 3.29 Å. Bi is bonded to six equivalent Ba atoms to form corner-sharing BiBa6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗