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Materials Data on SrBe3O4 by Materials Project

SrBe3O4 crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are three shorter (2.67 Å) and six longer (2.72 Å) Sr–O bond lengths. There are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All Be–O bond lengths are 1.54 Å. In the second Be2+ site, Be2+ is bonded to four O2- atoms to form corner-sharing BeO4 tetrahedra. There is one shorter (1.61 Å) and three longer (1.67 Å) Be–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Sr2+ and three Be2+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to three equivalent Sr2+ and two equivalent Be2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on SrBeO3 by Materials Project

SrBeO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr is bonded to twelve equivalent O atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, and faces with eight equivalent BeO6 octahedra. All Sr–O bond lengths are 2.64 Å. Be is bonded to six equivalent O atoms to form BeO6 octahedra that share corners with six equivalent BeO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Be–O bond lengths are 1.87 Å. O is bonded in a distorted linear geometry to four equivalent Sr and two equivalent Be atoms.

36 MATERIALS SCIENCE↗