Materials Data on Ca2PtAu by Materials Project
Ca2PtAu crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 7-coordinate geometry to four equivalent Pt and three equivalent Au atoms. All Ca–Pt bond lengths are 3.09 Å. There are one shorter (3.05 Å) and two longer (3.13 Å) Ca–Au bond lengths. In the second Ca site, Ca is bonded in a 7-coordinate geometry to three equivalent Pt and four equivalent Au atoms. There are one shorter (3.02 Å) and two longer (3.15 Å) Ca–Pt bond lengths. All Ca–Au bond lengths are 3.09 Å. Pt is bonded in a 9-coordinate geometry to seven Ca and two equivalent Au atoms. Both Pt–Au bond lengths are 2.81 Å. Au is bonded in a 9-coordinate geometry to seven Ca and two equivalent Pt atoms.