Materials Data on SrNdCrO4 by Materials Project
SrNdCrO4 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.39–2.78 Å. Nd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Nd–O bond distances ranging from 2.34–2.78 Å. Cr3+ is bonded to six O2- atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are a spread of Cr–O bond distances ranging from 1.96–2.09 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, two equivalent Nd3+, and two equivalent Cr3+ atoms to form distorted OSr2Nd2Cr2 octahedra that share corners with fourteen OSrNd4Cr octahedra, edges with two equivalent OSr2Nd2Cr2 octahedra, and faces with eight OSrNd4Cr octahedra. The corner-sharing octahedra tilt angles range from 8–54°. In the second O2- site, O2- is bonded to one Sr2+, four equivalent Nd3+, and one Cr3+ atom to form distorted OSrNd4Cr octahedra that share corners with seventeen OSrNd4Cr octahedra, edges with eight OSrNd4Cr octahedra, and faces with four equivalent OSr2Nd2Cr2 octahedra. The corner-sharing octahedra tilt angles range from 0–52°. In the third O2- site, O2- is bonded to four equivalent Sr2+, one Nd3+, and one Cr3+ atom to form distorted OSr4NdCr octahedra that share corners with seventeen OSrNd4Cr octahedra, edges with eight OSrNd4Cr octahedra, and faces with four equivalent OSr2Nd2Cr2 octahedra. The corner-sharing octahedra tilt angles range from 0–54°.