U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Y2Si2O7 by Materials Project
Abstract
Y2Si2O7 crystallizes in the monoclinic C2/m 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 four shorter (2.27 Å) and two longer (2.34 Å) Y–O bond lengths. 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 49–57°. There is one shorter (1.64 Å) and three longer (1.65 Å) Si–O bond length. There are three 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 linear geometry to two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Si4+ atom.
- Publication Date:
- Other Number(s):
- mp-5652
- 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; crystal structure; O-Si-Y; Y2Si2O7
- OSTI Identifier:
- 1272413
- DOI:
- https://doi.org/10.17188/1272413
Citation Formats
Materials Data on Y2Si2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1272413.
Materials Data on Y2Si2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1272413
2020.
"Materials Data on Y2Si2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1272413. https://www.osti.gov/servlets/purl/1272413. Pub date:Wed Jul 15 20:00:00 EDT 2020
@article{osti_1272413,
title = {Materials Data on Y2Si2O7 by Materials Project},
abstractNote = {Y2Si2O7 crystallizes in the monoclinic C2/m 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 four shorter (2.27 Å) and two longer (2.34 Å) Y–O bond lengths. 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 49–57°. There is one shorter (1.64 Å) and three longer (1.65 Å) Si–O bond length. There are three 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 linear geometry to two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Si4+ atom.},
doi = {10.17188/1272413},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}