Materials Data on Ca5Pt3 by Materials Project
Ca5Pt3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 6-coordinate geometry to six Pt atoms. There are a spread of Ca–Pt bond distances ranging from 3.00–3.44 Å. In the second Ca site, Ca is bonded to four equivalent Pt atoms to form distorted edge-sharing CaPt4 tetrahedra. All Ca–Pt bond lengths are 2.94 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 10-coordinate geometry to ten Ca atoms. In the second Pt site, Pt is bonded in a 10-coordinate geometry to eight equivalent Ca atoms.
36 MATERIALS SCIENCE↗