U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na4Sr(SiO3)3 by Materials Project
Abstract
Na4Sr(SiO3)3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that share corners with six SiO4 tetrahedra. There are four shorter (2.51 Å) and two longer (2.52 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded in a distorted bent 120 degrees geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.25–2.94 Å. In the third Na1+ site, Na1+ is bonded in a distorted bent 120 degrees geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.24–3.00 Å. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.62–2.93 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent NaO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 40°. There is two shorter (1.61 Å) and two longer (1.67 Å) Si–O bond length. Inmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1105620
- 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; Na4Sr(SiO3)3; Na-O-Si-Sr
- OSTI Identifier:
- 1730818
- DOI:
- https://doi.org/10.17188/1730818
Citation Formats
The Materials Project. Materials Data on Na4Sr(SiO3)3 by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1730818.
The Materials Project. Materials Data on Na4Sr(SiO3)3 by Materials Project. United States. doi:https://doi.org/10.17188/1730818
The Materials Project. 2018.
"Materials Data on Na4Sr(SiO3)3 by Materials Project". United States. doi:https://doi.org/10.17188/1730818. https://www.osti.gov/servlets/purl/1730818. Pub date:Thu Jul 19 00:00:00 EDT 2018
@article{osti_1730818,
title = {Materials Data on Na4Sr(SiO3)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Na4Sr(SiO3)3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that share corners with six SiO4 tetrahedra. There are four shorter (2.51 Å) and two longer (2.52 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded in a distorted bent 120 degrees geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.25–2.94 Å. In the third Na1+ site, Na1+ is bonded in a distorted bent 120 degrees geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.24–3.00 Å. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.62–2.93 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent NaO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 40°. There is two shorter (1.61 Å) and two longer (1.67 Å) Si–O bond length. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent NaO6 octahedra and corners with two SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 40–41°. There is two shorter (1.61 Å) and two longer (1.67 Å) Si–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one Na1+, one Sr2+, and two Si4+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three Na1+, one Sr2+, and one Si4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Na1+, one Sr2+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three Na1+, one Sr2+, and one Si4+ atom. In the fifth O2- site, O2- is bonded in a linear geometry to one Na1+, one Sr2+, and two equivalent Si4+ atoms.},
doi = {10.17188/1730818},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}