DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: 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.

Publication Date:
Other Number(s):
mp-1192641
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
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}
}