Materials Data on Ca2Si5Pt3 by Materials Project

Ca2Pt3Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Ca2+ is bonded in a 1-coordinate geometry to three equivalent Pt and ten Si+0.80- atoms. There are one shorter (3.13 Å) and two longer (3.22 Å) Ca–Pt bond lengths. There are a spread of Ca–Si bond distances ranging from 3.04–3.29 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 6-coordinate geometry to six Si+0.80- atoms. There are four shorter (2.49 Å) and two longer (2.68 Å) Pt–Si bond lengths. In the second Pt site, Pt is bonded in a 5-coordinate geometry to three equivalent Ca2+ and five Si+0.80- atoms. There are a spread of Pt–Si bond distances ranging from 2.38–2.47 Å. There are three inequivalent Si+0.80- sites. In the first Si+0.80- site, Si+0.80- is bonded in a 9-coordinate geometry to four equivalent Ca2+, three Pt, and two equivalent Si+0.80- atoms. Both Si–Si bond lengths are 2.53 Å. In the second Si+0.80- site, Si+0.80- is bonded in a 2-coordinate geometry to four equivalent Ca2+, three Pt, and two equivalent Si+0.80- atoms. In the third Si+0.80- site, Si+0.80- is bonded in a 4-coordinate geometry to four equivalent Ca2+ and four equivalent Pt atoms.