Materials Data on SnPd3C by Materials Project

Abstract

Pd3SnC is (Cubic) Perovskite structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted linear geometry to four equivalent Sn and two equivalent C atoms. All Pd–Sn bond lengths are 3.01 Å. Both Pd–C bond lengths are 2.13 Å. In the second Pd site, Pd is bonded in a linear geometry to four equivalent Sn and two equivalent C atoms. All Pd–Sn bond lengths are 3.01 Å. Both Pd–C bond lengths are 2.12 Å. Sn is bonded to twelve Pd atoms to form SnPd12 cuboctahedra that share corners with twelve equivalent SnPd12 cuboctahedra, faces with six equivalent SnPd12 cuboctahedra, and faces with eight equivalent CPd6 octahedra. C is bonded to six Pd atoms to form CPd6 octahedra that share corners with six equivalent CPd6 octahedra and faces with eight equivalent SnPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.