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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ba3BiAs by Materials Project

Ba3BiAs 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 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↗
DOE OSTI2020

Materials Data on Ba3BiAs by Materials Project

Ba3AsBi 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 Ba3As framework. In the Ba3As framework, Ba is bonded in a linear geometry to two equivalent As atoms. Both Ba–As bond lengths are 3.12 Å. As is bonded to six equivalent Ba atoms to form corner-sharing AsBa6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗