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+more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-14983
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Si4P4Ru; P-Ru-Si
- OSTI Identifier:
- 1190982
- DOI:
- https://doi.org/10.17188/1190982
Citation Formats
The Materials Project. Materials Data on Si4P4Ru by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1190982.
The Materials Project. Materials Data on Si4P4Ru by Materials Project. United States. doi:https://doi.org/10.17188/1190982
The Materials Project. 2020.
"Materials Data on Si4P4Ru by Materials Project". United States. doi:https://doi.org/10.17188/1190982. https://www.osti.gov/servlets/purl/1190982. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1190982,
title = {Materials Data on Si4P4Ru by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1190982},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}