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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sr5Bi3 by Materials Project

Sr5Bi3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded to six equivalent Bi atoms to form a mixture of distorted edge, corner, and face-sharing SrBi6 octahedra. The corner-sharing octahedral tilt angles are 35°. All Sr–Bi bond lengths are 3.56 Å. In the second Sr site, Sr is bonded in a 3-coordinate geometry to five equivalent Bi atoms. There are a spread of Sr–Bi bond distances ranging from 3.36–4.03 Å. Bi is bonded in a 9-coordinate geometry to nine Sr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr5Bi3 by Materials Project

Sr5Bi3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Sr sites. In the first Sr site, Sr is bonded in a 4-coordinate geometry to five Bi atoms. There are a spread of Sr–Bi bond distances ranging from 3.29–4.05 Å. In the second Sr site, Sr is bonded to five Bi atoms to form a mixture of distorted edge, corner, and face-sharing SrBi5 square pyramids. There are a spread of Sr–Bi bond distances ranging from 3.41–3.65 Å. In the third Sr site, Sr is bonded to five Bi atoms to form a mixture of distorted edge, corner, and face-sharing SrBi5 square pyramids. There are a spread of Sr–Bi bond distances ranging from 3.47–3.55 Å. In the fourth Sr site, Sr is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Sr–Bi bond distances ranging from 3.31–3.72 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to seven Sr atoms to form distorted edge-sharing BiSr7 pentagonal bipyramids. In the second Bi site, Bi is bonded in a 9-coordinate geometry to nine Sr atoms.

36 MATERIALS SCIENCE↗