Materials Data on Sr2CaSbO6 by Materials Project
Sr2CaSbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sr–O bond distances ranging from 2.54–2.99 Å. Ca is bonded to six O atoms to form CaO6 octahedra that share corners with six equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 26–29°. There are a spread of Ca–O bond distances ranging from 2.31–2.33 Å. Sb is bonded to six O atoms to form SbO6 octahedra that share corners with six equivalent CaO6 octahedra. The corner-sharing octahedra tilt angles range from 26–29°. All Sb–O bond lengths are 2.01 Å. There are three inequivalent O sites. In the first O site, O is bonded in a 5-coordinate geometry to three equivalent Sr, one Ca, and one Sb atom. In the second O site, O is bonded to two equivalent Sr, one Ca, and one Sb atom to form distorted corner-sharing OSr2CaSb tetrahedra. In the third O site, O is bonded in a 5-coordinate geometry to three equivalent Sr, one Ca, and one Sb atom.