U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Y2Si2O7 by Materials Project
Abstract
Y2Si2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Y3+ is bonded to six O2- atoms to form distorted YO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with three equivalent YO6 octahedra. There are a spread of Y–O bond distances ranging from 2.27–2.35 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with six equivalent YO6 octahedra and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 42–61°. There are a spread of Si–O bond distances ranging from 1.64–1.66 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Y3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Y3+ and one Si4+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-7999
- 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; Y2Si2O7; O-Si-Y
- OSTI Identifier:
- 1307889
- DOI:
- https://doi.org/10.17188/1307889
Citation Formats
The Materials Project. Materials Data on Y2Si2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1307889.
The Materials Project. Materials Data on Y2Si2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1307889
The Materials Project. 2020.
"Materials Data on Y2Si2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1307889. https://www.osti.gov/servlets/purl/1307889. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1307889,
title = {Materials Data on Y2Si2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Y2Si2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Y3+ is bonded to six O2- atoms to form distorted YO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with three equivalent YO6 octahedra. There are a spread of Y–O bond distances ranging from 2.27–2.35 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with six equivalent YO6 octahedra and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 42–61°. There are a spread of Si–O bond distances ranging from 1.64–1.66 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Y3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Y3+ and one Si4+ atom.},
doi = {10.17188/1307889},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}