Materials Data on Si4P4Ru by Materials Project

Abstract

RuSi4P4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Ru4+ is bonded in a distorted T-shaped geometry to three Si4- atoms. There are two shorter (2.36 Å) and one longer (2.38 Å) Ru–Si bond lengths. There are four inequivalent Si4- sites. In the first Si4- site, Si4- is bonded to one Ru4+ and three P3+ atoms to form corner-sharing SiP3Ru tetrahedra. There are two shorter (2.32 Å) and one longer (2.33 Å) Si–P bond lengths. In the second Si4- site, Si4- is bonded to four P3+ atoms to form corner-sharing SiP4 tetrahedra. There are a spread of Si–P bond distances ranging from 2.23–2.28 Å. In the third Si4- site, Si4- is bonded to one Ru4+ and three P3+ atoms to form corner-sharing SiP3Ru tetrahedra. There are two shorter (2.31 Å) and one longer (2.32 Å) Si–P bond lengths. In the fourth Si4- site, Si4- is bonded to one Ru4+ and three P3+ atoms to form corner-sharing SiP3Ru tetrahedra. There are a spread of Si–P bond distances ranging from 2.28–2.33 Å. There are four inequivalent P3+ sites. In the first P3+ site, P3+ is bonded in a distorted T-shaped geometry to three Si4- atoms. In the second P3+ site, P3+ is bonded in a trigonal non-coplanar geometry to three Si4- atoms. In the third P3+ site, P3+ is bonded in a tetrahedral geometry to four Si4- atoms. In the fourth P3+ site, P3+ is bonded in a trigonal non-coplanar geometry to three Si4- atoms.