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Title: Materials Data on NaTiO2 by Materials Project

Abstract

NaTiO2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.28–2.86 Å. Ti3+ is bonded to five O2- atoms to form a mixture of edge and corner-sharing TiO5 trigonal bipyramids. There are a spread of Ti–O bond distances ranging from 1.92–2.18 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Na1+ and three equivalent Ti3+ atoms to form a mixture of distorted edge and corner-sharing ONa2Ti3 trigonal bipyramids. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Na1+ and two equivalent Ti3+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-776894
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; NaTiO2; Na-O-Ti
OSTI Identifier:
1304536
DOI:
10.17188/1304536

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on NaTiO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1304536.
Persson, Kristin, & Project, Materials. Materials Data on NaTiO2 by Materials Project. United States. doi:10.17188/1304536.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on NaTiO2 by Materials Project". United States. doi:10.17188/1304536. https://www.osti.gov/servlets/purl/1304536. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1304536,
title = {Materials Data on NaTiO2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {NaTiO2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.28–2.86 Å. Ti3+ is bonded to five O2- atoms to form a mixture of edge and corner-sharing TiO5 trigonal bipyramids. There are a spread of Ti–O bond distances ranging from 1.92–2.18 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Na1+ and three equivalent Ti3+ atoms to form a mixture of distorted edge and corner-sharing ONa2Ti3 trigonal bipyramids. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Na1+ and two equivalent Ti3+ atoms.},
doi = {10.17188/1304536},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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