U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Rb2Ti(TeO4)3 by Materials Project
Abstract
Rb2Ti(TeO4)3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Rb1+ is bonded to six O2- atoms to form distorted RbO6 octahedra that share corners with three equivalent TiO6 octahedra and corners with nine TeO6 octahedra. The corner-sharing octahedra tilt angles range from 65–72°. There are a spread of Rb–O bond distances ranging from 3.01–3.25 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent RbO6 octahedra and corners with six TeO6 octahedra. The corner-sharing octahedra tilt angles range from 41–70°. There is four shorter (1.96 Å) and two longer (1.97 Å) Ti–O bond length. There are two inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with two equivalent TiO6 octahedra, corners with four TeO6 octahedra, and corners with six equivalent RbO6 octahedra. The corner-sharing octahedra tilt angles range from 41–72°. There is two shorter (1.90 Å) and four longer (1.98 Å) Te–O bond length. In the second Te6+ site, Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with two equivalent TiO6 octahedra, corners with four equivalent TeO6 octahedra, andmore »
- Publication Date:
- Other Number(s):
- mp-1219756
- 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-Rb-Te-Ti; Rb2Ti(TeO4)3; crystal structure
- OSTI Identifier:
- 1719848
- DOI:
- https://doi.org/10.17188/1719848
Citation Formats
Materials Data on Rb2Ti(TeO4)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1719848.
Materials Data on Rb2Ti(TeO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1719848
2020.
"Materials Data on Rb2Ti(TeO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1719848. https://www.osti.gov/servlets/purl/1719848. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1719848,
title = {Materials Data on Rb2Ti(TeO4)3 by Materials Project},
abstractNote = {Rb2Ti(TeO4)3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Rb1+ is bonded to six O2- atoms to form distorted RbO6 octahedra that share corners with three equivalent TiO6 octahedra and corners with nine TeO6 octahedra. The corner-sharing octahedra tilt angles range from 65–72°. There are a spread of Rb–O bond distances ranging from 3.01–3.25 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent RbO6 octahedra and corners with six TeO6 octahedra. The corner-sharing octahedra tilt angles range from 41–70°. There is four shorter (1.96 Å) and two longer (1.97 Å) Ti–O bond length. There are two inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with two equivalent TiO6 octahedra, corners with four TeO6 octahedra, and corners with six equivalent RbO6 octahedra. The corner-sharing octahedra tilt angles range from 41–72°. There is two shorter (1.90 Å) and four longer (1.98 Å) Te–O bond length. In the second Te6+ site, Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with two equivalent TiO6 octahedra, corners with four equivalent TeO6 octahedra, and corners with six equivalent RbO6 octahedra. The corner-sharing octahedra tilt angles range from 41–70°. There are a spread of Te–O bond distances ranging from 1.90–1.98 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+ and two equivalent Te6+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Rb1+, one Ti4+, and one Te6+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Rb1+, one Ti4+, and one Te6+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Rb1+ and two Te6+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Rb1+, one Ti4+, and one Te6+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+ and two Te6+ atoms.},
doi = {10.17188/1719848},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 04:00:00 UTC 2020},
month = {Sat May 02 04:00:00 UTC 2020}
}