U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr3Sn2O7 by Materials Project
Abstract
Sr3Sn2O7 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–3.15 Å. In the second Sr2+ site, Sr2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.43–2.96 Å. Sn4+ is bonded to six O2- atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedra tilt angles range from 17–24°. There are a spread of Sn–O bond distances ranging from 2.07–2.10 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+ and two equivalent Sn4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four Sr2+ and two equivalent Sn4+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Sr2+ and one Sn4+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+ and two equivalent Sn4+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-17743
- 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; Sr3Sn2O7; O-Sn-Sr
- OSTI Identifier:
- 1192667
- DOI:
- https://doi.org/10.17188/1192667
Citation Formats
The Materials Project. Materials Data on Sr3Sn2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1192667.
The Materials Project. Materials Data on Sr3Sn2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1192667
The Materials Project. 2020.
"Materials Data on Sr3Sn2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1192667. https://www.osti.gov/servlets/purl/1192667. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1192667,
title = {Materials Data on Sr3Sn2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr3Sn2O7 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–3.15 Å. In the second Sr2+ site, Sr2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.43–2.96 Å. Sn4+ is bonded to six O2- atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedra tilt angles range from 17–24°. There are a spread of Sn–O bond distances ranging from 2.07–2.10 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+ and two equivalent Sn4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four Sr2+ and two equivalent Sn4+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Sr2+ and one Sn4+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+ and two equivalent Sn4+ atoms.},
doi = {10.17188/1192667},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}