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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sr3PbO by Materials Project

Sr3PbO is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr is bonded in a linear geometry to four equivalent Pb and two equivalent O atoms. All Sr–Pb bond lengths are 3.69 Å. Both Sr–O bond lengths are 2.61 Å. Pb is bonded to twelve equivalent Sr atoms to form PbSr12 cuboctahedra that share corners with twelve equivalent PbSr12 cuboctahedra, faces with six equivalent PbSr12 cuboctahedra, and faces with eight equivalent OSr6 octahedra. O is bonded to six equivalent Sr atoms to form OSr6 octahedra that share corners with six equivalent OSr6 octahedra and faces with eight equivalent PbSr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrPbO3 by Materials Project

SrPbO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.51–3.01 Å. Pb4+ is bonded to six O2- atoms to form corner-sharing PbO6 octahedra. The corner-sharing octahedra tilt angles range from 32–35°. All Pb–O bond lengths are 2.22 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+ and two equivalent Pb4+ atoms to form distorted corner-sharing OSr2Pb2 tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+ and two equivalent Pb4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr2PbO4 by Materials Project

Sr2PbO4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.55–2.90 Å. Pb4+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are two shorter (2.16 Å) and four longer (2.33 Å) Pb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Sr2+ and two equivalent Pb4+ atoms to form a mixture of distorted edge and corner-sharing OSr3Pb2 trigonal bipyramids. In the second O2- site, O2- is bonded to four equivalent Sr2+ and one Pb4+ atom to form a mixture of distorted edge and corner-sharing OSr4Pb trigonal bipyramids.

36 MATERIALS SCIENCE↗