U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr3TeO6 by Materials Project
Abstract
Sr3TeO6 is Orthorhombic Perovskite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six O2- atoms to form SrO6 octahedra that share corners with six equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 28–36°. There are a spread of Sr–O bond distances ranging from 2.43–2.50 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.53–3.13 Å. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six equivalent SrO6 octahedra. The corner-sharing octahedra tilt angles range from 28–36°. There is four shorter (1.96 Å) and two longer (1.97 Å) Te–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three Sr2+ and one Te6+ atom to form distorted corner-sharing OSr3Te tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four Sr2+ and one Te6+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Te6+more »
- Publication Date:
- Other Number(s):
- mp-768941
- 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; crystal structure; O-Sr-Te; Sr3TeO6
- OSTI Identifier:
- 1298560
- DOI:
- https://doi.org/10.17188/1298560
Citation Formats
Materials Data on Sr3TeO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1298560.
Materials Data on Sr3TeO6 by Materials Project. United States. doi:https://doi.org/10.17188/1298560
2020.
"Materials Data on Sr3TeO6 by Materials Project". United States. doi:https://doi.org/10.17188/1298560. https://www.osti.gov/servlets/purl/1298560. Pub date:Fri May 08 20:00:00 EDT 2020
@article{osti_1298560,
title = {Materials Data on Sr3TeO6 by Materials Project},
abstractNote = {Sr3TeO6 is Orthorhombic Perovskite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six O2- atoms to form SrO6 octahedra that share corners with six equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 28–36°. There are a spread of Sr–O bond distances ranging from 2.43–2.50 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.53–3.13 Å. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six equivalent SrO6 octahedra. The corner-sharing octahedra tilt angles range from 28–36°. There is four shorter (1.96 Å) and two longer (1.97 Å) Te–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three Sr2+ and one Te6+ atom to form distorted corner-sharing OSr3Te tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four Sr2+ and one Te6+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Te6+ atom.},
doi = {10.17188/1298560},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}