Materials Data on Sc4Si2Pt7 by Materials Project
Sc4Pt7Si2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Sc+2.50+ sites. In the first Sc+2.50+ site, Sc+2.50+ is bonded in a distorted q6 geometry to ten Pt+1.43- atoms. There are a spread of Sc–Pt bond distances ranging from 2.78–2.95 Å. In the second Sc+2.50+ site, Sc+2.50+ is bonded in a 8-coordinate geometry to eight Pt+1.43- atoms. There are a spread of Sc–Pt bond distances ranging from 2.91–3.10 Å. There are four inequivalent Pt+1.43- sites. In the first Pt+1.43- site, Pt+1.43- is bonded in a 12-coordinate geometry to four Sc+2.50+ and two equivalent Si atoms. Both Pt–Si bond lengths are 2.40 Å. In the second Pt+1.43- site, Pt+1.43- is bonded in a 12-coordinate geometry to six Sc+2.50+ and one Si atom. The Pt–Si bond length is 2.45 Å. In the third Pt+1.43- site, Pt+1.43- is bonded in a distorted square co-planar geometry to four equivalent Sc+2.50+ atoms. In the fourth Pt+1.43- site, Pt+1.43- is bonded in a 12-coordinate geometry to six Sc+2.50+ and two equivalent Si atoms. There are one shorter (2.42 Å) and one longer (2.48 Å) Pt–Si bond lengths. Si is bonded in a 5-coordinate geometry to five Pt+1.43- atoms.