U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SrTl2O4 by Materials Project
Abstract
SrTl2O4 crystallizes in the orthorhombic Pnma 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 2.60–2.85 Å. There are two inequivalent Tl3+ sites. In the first Tl3+ site, Tl3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TlO6 octahedra. The corner-sharing octahedra tilt angles range from 50–66°. There are a spread of Tl–O bond distances ranging from 2.28–2.40 Å. In the second Tl3+ site, Tl3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TlO6 octahedra. The corner-sharing octahedra tilt angles range from 50–66°. There are a spread of Tl–O bond distances ranging from 2.20–2.44 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Tl3+ atoms to form a mixture of distorted edge and corner-sharing OSr2Tl3 trigonal bipyramids. In the second O2- site, O2- is bonded to two equivalent Sr2+ and three Tl3+ atoms to form a mixture of distorted edge and corner-sharing OSr2Tl3 trigonal bipyramids. In the third O2- site, O2- is bonded to two equivalent Sr2+more »
- Publication Date:
- Other Number(s):
- mp-4655
- 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-Sr-Tl; SrTl2O4; crystal structure
- OSTI Identifier:
- 1208315
- DOI:
- https://doi.org/10.17188/1208315
Citation Formats
Materials Data on SrTl2O4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1208315.
Materials Data on SrTl2O4 by Materials Project. United States. doi:https://doi.org/10.17188/1208315
2020.
"Materials Data on SrTl2O4 by Materials Project". United States. doi:https://doi.org/10.17188/1208315. https://www.osti.gov/servlets/purl/1208315. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1208315,
title = {Materials Data on SrTl2O4 by Materials Project},
abstractNote = {SrTl2O4 crystallizes in the orthorhombic Pnma 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 2.60–2.85 Å. There are two inequivalent Tl3+ sites. In the first Tl3+ site, Tl3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TlO6 octahedra. The corner-sharing octahedra tilt angles range from 50–66°. There are a spread of Tl–O bond distances ranging from 2.28–2.40 Å. In the second Tl3+ site, Tl3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TlO6 octahedra. The corner-sharing octahedra tilt angles range from 50–66°. There are a spread of Tl–O bond distances ranging from 2.20–2.44 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Tl3+ atoms to form a mixture of distorted edge and corner-sharing OSr2Tl3 trigonal bipyramids. In the second O2- site, O2- is bonded to two equivalent Sr2+ and three Tl3+ atoms to form a mixture of distorted edge and corner-sharing OSr2Tl3 trigonal bipyramids. In the third O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Tl3+ atoms to form a mixture of edge and corner-sharing OSr2Tl3 square pyramids. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Tl3+ atoms.},
doi = {10.17188/1208315},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}