Materials Data on SrCeVO4 by Materials Project
SrCeVO4 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sr2+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.37–2.81 Å. Ce3+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of Ce–O bond distances ranging from 2.23–2.79 Å. V3+ is bonded to six O2- atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are a spread of V–O bond distances ranging from 1.97–2.23 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, two equivalent Ce3+, and two equivalent V3+ atoms to form distorted OSr2Ce2V2 octahedra that share corners with fourteen OSrCe4V octahedra, edges with two equivalent OSr2Ce2V2 octahedra, and faces with eight OSrCe4V octahedra. The corner-sharing octahedra tilt angles range from 6–53°. In the second O2- site, O2- is bonded to one Sr2+, four equivalent Ce3+, and one V3+ atom to form distorted OSrCe4V octahedra that share corners with seventeen OSrCe4V octahedra, edges with eight OSrCe4V octahedra, and faces with four equivalent OSr2Ce2V2 octahedra. The corner-sharing octahedra tilt angles range from 0–53°. In the third O2- site, O2- is bonded to four equivalent Sr2+, one Ce3+, and one V3+ atom to form distorted OSr4CeV octahedra that share corners with seventeen OSrCe4V octahedra, edges with eight OSrCe4V octahedra, and faces with four equivalent OSr2Ce2V2 octahedra. The corner-sharing octahedra tilt angles range from 0–52°.