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All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Materials Data on SrO3 by Materials Project

SrO3 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Sr is bonded in a 7-coordinate geometry to nine O atoms. There are a spread of Sr–O bond distances ranging from 2.42–2.95 Å. There are three inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to three equivalent Sr and two equivalent O atoms. Both O–O bond lengths are 2.00 Å. In the second O site, O is bonded in a 1-coordinate geometry to two equivalent Sr and three O atoms. The O–O bond length is 1.39 Å. In the third O site, O is bonded to four equivalent Sr and one O atom to form a mixture of distorted corner and edge-sharing OSr4O trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrZrO3 by Materials Project

SrZrO3 is (Cubic) Perovskite structured and crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional and consists of one SrO3 framework and one zirconium molecule. In the SrO3 framework, Sr2+ is bonded to six O2- atoms to form corner-sharing SrO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Sr–O bond distances ranging from 2.19–2.22 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Sr2+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Sr2+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Sr2+ atoms.

36 MATERIALS SCIENCE↗