U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr2Ti(SiO4)2 by Materials Project
Abstract
Sr2TiSi2O8 crystallizes in the tetragonal P4bm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.63–2.91 Å. Ti4+ is bonded to five O2- atoms to form distorted TiO5 trigonal bipyramids that share corners with four equivalent SiO4 tetrahedra. There is one shorter (1.71 Å) and four longer (1.97 Å) Ti–O bond length. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra and corners with two equivalent TiO5 trigonal bipyramids. There are a spread of Si–O bond distances ranging from 1.60–1.68 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Sr2+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, one Ti4+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Ti4+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1192641
- 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; Sr2Ti(SiO4)2; O-Si-Sr-Ti
- OSTI Identifier:
- 1685481
- DOI:
- https://doi.org/10.17188/1685481
Citation Formats
The Materials Project. Materials Data on Sr2Ti(SiO4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1685481.
The Materials Project. Materials Data on Sr2Ti(SiO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1685481
The Materials Project. 2020.
"Materials Data on Sr2Ti(SiO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1685481. https://www.osti.gov/servlets/purl/1685481. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1685481,
title = {Materials Data on Sr2Ti(SiO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2TiSi2O8 crystallizes in the tetragonal P4bm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.63–2.91 Å. Ti4+ is bonded to five O2- atoms to form distorted TiO5 trigonal bipyramids that share corners with four equivalent SiO4 tetrahedra. There is one shorter (1.71 Å) and four longer (1.97 Å) Ti–O bond length. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra and corners with two equivalent TiO5 trigonal bipyramids. There are a spread of Si–O bond distances ranging from 1.60–1.68 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Sr2+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, one Ti4+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Ti4+ atom.},
doi = {10.17188/1685481},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}