Materials Data on SiP3RuO11 by Materials Project
Abstract
RuP3SiO11 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ru3+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six equivalent PO4 tetrahedra. All Ru–O bond lengths are 2.06 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra and corners with three equivalent PO4 tetrahedra. There is one shorter (1.59 Å) and three longer (1.63 Å) Si–O bond length. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent RuO6 octahedra, a cornercorner with one SiO4 tetrahedra, and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 41–46°. There are a spread of P–O bond distances ranging from 1.50–1.62 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Si4+ and one P5+ atom. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ru3+ and one P5+ atom. In the fourthmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-562501
- 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; SiP3RuO11; O-P-Ru-Si
- OSTI Identifier:
- 1272353
- DOI:
- https://doi.org/10.17188/1272353
Citation Formats
The Materials Project. Materials Data on SiP3RuO11 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1272353.
The Materials Project. Materials Data on SiP3RuO11 by Materials Project. United States. doi:https://doi.org/10.17188/1272353
The Materials Project. 2020.
"Materials Data on SiP3RuO11 by Materials Project". United States. doi:https://doi.org/10.17188/1272353. https://www.osti.gov/servlets/purl/1272353. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1272353,
title = {Materials Data on SiP3RuO11 by Materials Project},
author = {The Materials Project},
abstractNote = {RuP3SiO11 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ru3+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six equivalent PO4 tetrahedra. All Ru–O bond lengths are 2.06 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra and corners with three equivalent PO4 tetrahedra. There is one shorter (1.59 Å) and three longer (1.63 Å) Si–O bond length. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent RuO6 octahedra, a cornercorner with one SiO4 tetrahedra, and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 41–46°. There are a spread of P–O bond distances ranging from 1.50–1.62 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Si4+ and one P5+ atom. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ru3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Ru3+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms.},
doi = {10.17188/1272353},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}