DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on RbNaTiO3 by Materials Project

Abstract

RbNaTiO3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Rb1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.87 Å) and two longer (2.99 Å) Rb–O bond lengths. Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–2.40 Å. Ti4+ is bonded to five O2- atoms to form distorted edge-sharing TiO5 trigonal bipyramids. There are a spread of Ti–O bond distances ranging from 1.78–2.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Rb1+, one Na1+, and one Ti4+ atom.

Authors:
Publication Date:
Other Number(s):
mp-556185
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; RbNaTiO3; Na-O-Rb-Ti
OSTI Identifier:
1269216
DOI:
https://doi.org/10.17188/1269216

Citation Formats

The Materials Project. Materials Data on RbNaTiO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269216.
The Materials Project. Materials Data on RbNaTiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1269216
The Materials Project. 2020. "Materials Data on RbNaTiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1269216. https://www.osti.gov/servlets/purl/1269216. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1269216,
title = {Materials Data on RbNaTiO3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbNaTiO3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Rb1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.87 Å) and two longer (2.99 Å) Rb–O bond lengths. Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–2.40 Å. Ti4+ is bonded to five O2- atoms to form distorted edge-sharing TiO5 trigonal bipyramids. There are a spread of Ti–O bond distances ranging from 1.78–2.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Rb1+, one Na1+, and one Ti4+ atom.},
doi = {10.17188/1269216},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}