Materials Data on Si4P4Ru by Materials Project
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.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1190982
- Report Number(s):
- mp-14983
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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