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

Title: Materials Data on NaCeTi2O6 by Materials Project

Abstract

NaCeTi2O6 crystallizes in the trigonal R32 space group. The structure is three-dimensional. Na1+ is bonded in a 3-coordinate geometry to nine O2- atoms. There are three shorter (2.39 Å) and six longer (2.76 Å) Na–O bond lengths. Ce3+ is bonded in a 3-coordinate geometry to nine O2- atoms. There are three shorter (2.33 Å) and six longer (2.75 Å) Ce–O bond lengths. Ti4+ is bonded to six O2- atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 21–24°. There is three shorter (1.95 Å) and three longer (1.99 Å) Ti–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Na1+, two equivalent Ce3+, and two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Na1+, one Ce3+, and two equivalent Ti4+ atoms.

Publication Date:
Other Number(s):
mp-1221080
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; NaCeTi2O6; Ce-Na-O-Ti
OSTI Identifier:
1677889
DOI:
https://doi.org/10.17188/1677889

Citation Formats

The Materials Project. Materials Data on NaCeTi2O6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1677889.
The Materials Project. Materials Data on NaCeTi2O6 by Materials Project. United States. doi:https://doi.org/10.17188/1677889
The Materials Project. 2020. "Materials Data on NaCeTi2O6 by Materials Project". United States. doi:https://doi.org/10.17188/1677889. https://www.osti.gov/servlets/purl/1677889. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1677889,
title = {Materials Data on NaCeTi2O6 by Materials Project},
author = {The Materials Project},
abstractNote = {NaCeTi2O6 crystallizes in the trigonal R32 space group. The structure is three-dimensional. Na1+ is bonded in a 3-coordinate geometry to nine O2- atoms. There are three shorter (2.39 Å) and six longer (2.76 Å) Na–O bond lengths. Ce3+ is bonded in a 3-coordinate geometry to nine O2- atoms. There are three shorter (2.33 Å) and six longer (2.75 Å) Ce–O bond lengths. Ti4+ is bonded to six O2- atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 21–24°. There is three shorter (1.95 Å) and three longer (1.99 Å) Ti–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Na1+, two equivalent Ce3+, and two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Na1+, one Ce3+, and two equivalent Ti4+ atoms.},
doi = {10.17188/1677889},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}