Materials Data on Rb2TiO3 by Materials Project
Abstract
Rb2TiO3 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to seven O2- atoms to form distorted RbO7 hexagonal pyramids that share corners with four equivalent RbO7 hexagonal pyramids, a cornercorner with one TiO4 tetrahedra, edges with three equivalent RbO7 hexagonal pyramids, and edges with four equivalent TiO4 tetrahedra. There are a spread of Rb–O bond distances ranging from 2.87–3.08 Å. In the second Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to seven O2- atoms. There are a spread of Rb–O bond distances ranging from 2.91–3.41 Å. Ti4+ is bonded to four O2- atoms to form TiO4 tetrahedra that share a cornercorner with one RbO7 hexagonal pyramid, corners with two equivalent TiO4 tetrahedra, and edges with four equivalent RbO7 hexagonal pyramids. There are a spread of Ti–O bond distances ranging from 1.78–1.90 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to four Rb1+ and two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to five Rb1+ and one Ti4+ atom.more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-5403
- 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; Rb2TiO3; O-Rb-Ti
- OSTI Identifier:
- 1263817
- DOI:
- https://doi.org/10.17188/1263817
Citation Formats
The Materials Project. Materials Data on Rb2TiO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1263817.
The Materials Project. Materials Data on Rb2TiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1263817
The Materials Project. 2020.
"Materials Data on Rb2TiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1263817. https://www.osti.gov/servlets/purl/1263817. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1263817,
title = {Materials Data on Rb2TiO3 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2TiO3 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to seven O2- atoms to form distorted RbO7 hexagonal pyramids that share corners with four equivalent RbO7 hexagonal pyramids, a cornercorner with one TiO4 tetrahedra, edges with three equivalent RbO7 hexagonal pyramids, and edges with four equivalent TiO4 tetrahedra. There are a spread of Rb–O bond distances ranging from 2.87–3.08 Å. In the second Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to seven O2- atoms. There are a spread of Rb–O bond distances ranging from 2.91–3.41 Å. Ti4+ is bonded to four O2- atoms to form TiO4 tetrahedra that share a cornercorner with one RbO7 hexagonal pyramid, corners with two equivalent TiO4 tetrahedra, and edges with four equivalent RbO7 hexagonal pyramids. There are a spread of Ti–O bond distances ranging from 1.78–1.90 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to four Rb1+ and two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to five Rb1+ and one Ti4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to five Rb1+ and one Ti4+ atom.},
doi = {10.17188/1263817},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 24 00:00:00 EDT 2020},
month = {Fri Jul 24 00:00:00 EDT 2020}
}