Materials Data on Ba2La4CuPtO10 by Materials Project

Abstract

Ba2La4PtCuO10 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ba2+ is bonded in a distorted q6 geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.98–3.05 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.37–2.69 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.34–2.66 Å. Pt2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.03 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.97 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ba2+ and four La3+ atoms to form OBa2La4 octahedra that share corners with fourteen OBa2La4 octahedra and faces with four equivalent OBa2La3Pt octahedra. The corner-sharing octahedra tilt angles range from 0–61°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, three La3+, and one Cu2+ atom. In the third O2- site, O2- is bonded to two equivalent Ba2+, three La3+, and one Pt2+ atom to form distorted OBa2La3Pt octahedra that share corners with nine OBa2La4 octahedra, an edgeedge with one OBa2La3Pt octahedra, and faces with five OBa2La4 octahedra. The corner-sharing octahedra tilt angles range from 0–61°.