U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on La2(SiO3)3 by Materials Project
Abstract
La2(SiO3)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. La3+ is bonded to six equivalent O2- atoms to form distorted LaO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with three equivalent LaO6 octahedra. There are three shorter (2.38 Å) and three longer (2.56 Å) La–O bond lengths. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent LaO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 44–64°. There are a spread of Si–O bond distances ranging from 1.63–1.67 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent La3+ and one Si4+ atom.
- Publication Date:
- Other Number(s):
- mp-756888
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; La-O-Si; La2(SiO3)3; crystal structure
- OSTI Identifier:
- 1290653
- DOI:
- https://doi.org/10.17188/1290653
Citation Formats
Materials Data on La2(SiO3)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1290653.
Materials Data on La2(SiO3)3 by Materials Project. United States. doi:https://doi.org/10.17188/1290653
2020.
"Materials Data on La2(SiO3)3 by Materials Project". United States. doi:https://doi.org/10.17188/1290653. https://www.osti.gov/servlets/purl/1290653. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1290653,
title = {Materials Data on La2(SiO3)3 by Materials Project},
abstractNote = {La2(SiO3)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. La3+ is bonded to six equivalent O2- atoms to form distorted LaO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with three equivalent LaO6 octahedra. There are three shorter (2.38 Å) and three longer (2.56 Å) La–O bond lengths. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent LaO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 44–64°. There are a spread of Si–O bond distances ranging from 1.63–1.67 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent La3+ and one Si4+ atom.},
doi = {10.17188/1290653},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}