U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr2ZnSi2O7 by Materials Project
Abstract
Sr2ZnSi2O7 crystallizes in the tetragonal P-42_1m 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 2.57–2.82 Å. Zn2+ is bonded to four equivalent O2- atoms to form ZnO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. All Zn–O bond lengths are 1.97 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra and corners with two equivalent ZnO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.68 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+ and two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate 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 Zn2+, and one Si4+ atom.
- Publication Date:
- Other Number(s):
- mp-1191240
- 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-Si-Sr-Zn; Sr2ZnSi2O7; crystal structure
- OSTI Identifier:
- 1681274
- DOI:
- https://doi.org/10.17188/1681274
Citation Formats
Materials Data on Sr2ZnSi2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1681274.
Materials Data on Sr2ZnSi2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1681274
2020.
"Materials Data on Sr2ZnSi2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1681274. https://www.osti.gov/servlets/purl/1681274. Pub date:Sat May 09 04:00:00 UTC 2020
@article{osti_1681274,
title = {Materials Data on Sr2ZnSi2O7 by Materials Project},
abstractNote = {Sr2ZnSi2O7 crystallizes in the tetragonal P-42_1m 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 2.57–2.82 Å. Zn2+ is bonded to four equivalent O2- atoms to form ZnO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. All Zn–O bond lengths are 1.97 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra and corners with two equivalent ZnO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.68 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+ and two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate 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 Zn2+, and one Si4+ atom.},
doi = {10.17188/1681274},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}