U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sc2Si2O7 by Materials Project
Abstract
Sc2Si2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sc3+ is bonded to six O2- atoms to form distorted ScO6 pentagonal pyramids that share corners with six equivalent SiO4 tetrahedra and edges with three equivalent ScO6 pentagonal pyramids. There are a spread of Sc–O bond distances ranging from 2.10–2.21 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with six equivalent ScO6 pentagonal pyramids and a cornercorner with one SiO4 tetrahedra. There is one shorter (1.62 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 Sc3+ 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 Sc3+ and one Si4+ atom.
- Publication Date:
- Other Number(s):
- mp-5594
- 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; O-Sc-Si; Sc2Si2O7; crystal structure
- OSTI Identifier:
- 1270844
- DOI:
- https://doi.org/10.17188/1270844
Citation Formats
Materials Data on Sc2Si2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1270844.
Materials Data on Sc2Si2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1270844
2020.
"Materials Data on Sc2Si2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1270844. https://www.osti.gov/servlets/purl/1270844. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1270844,
title = {Materials Data on Sc2Si2O7 by Materials Project},
abstractNote = {Sc2Si2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sc3+ is bonded to six O2- atoms to form distorted ScO6 pentagonal pyramids that share corners with six equivalent SiO4 tetrahedra and edges with three equivalent ScO6 pentagonal pyramids. There are a spread of Sc–O bond distances ranging from 2.10–2.21 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with six equivalent ScO6 pentagonal pyramids and a cornercorner with one SiO4 tetrahedra. There is one shorter (1.62 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 Sc3+ 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 Sc3+ and one Si4+ atom.},
doi = {10.17188/1270844},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}