Materials Data on CaPtO6 by Materials Project

Abstract

CaPtO6 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Ca is bonded in a 6-coordinate geometry to six O atoms. There are five shorter (2.31 Å) and one longer (2.32 Å) Ca–O bond lengths. Pt is bonded in an octahedral geometry to six O atoms. There are one shorter (2.04 Å) and five longer (2.05 Å) Pt–O bond lengths. There are six inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to one Ca, one Pt, and one O atom. The O–O bond length is 1.47 Å. In the second O site, O is bonded in a 3-coordinate geometry to one Ca, one Pt, and one O atom. The O–O bond length is 1.47 Å. In the third O site, O is bonded in a 3-coordinate geometry to one Ca, one Pt, and one O atom. The O–O bond length is 1.47 Å. In the fourth O site, O is bonded in a 3-coordinate geometry to one Ca, one Pt, and one O atom. In the fifth O site, O is bonded in a 3-coordinate geometry to one Ca, one Pt, and one O atom. In the sixth O site, O is bonded in a 3-coordinate geometry to one Ca, one Pt, and one O atom.