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Title: Materials Data on NaTiO3 by Materials Project

Abstract

NaTiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na is bonded to twelve equivalent O atoms to form NaO12 cuboctahedra that share corners with twelve equivalent NaO12 cuboctahedra, faces with six equivalent NaO12 cuboctahedra, and faces with eight equivalent TiO6 octahedra. All Na–O bond lengths are 2.76 Å. Ti is bonded to six equivalent O atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra and faces with eight equivalent NaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–O bond lengths are 1.95 Å. O is bonded in a distorted linear geometry to four equivalent Na and two equivalent Ti atoms.

Publication Date:
Other Number(s):
mp-977123
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; NaTiO3; Na-O-Ti
OSTI Identifier:
1315507
DOI:
https://doi.org/10.17188/1315507

Citation Formats

The Materials Project. Materials Data on NaTiO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1315507.
The Materials Project. Materials Data on NaTiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1315507
The Materials Project. 2020. "Materials Data on NaTiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1315507. https://www.osti.gov/servlets/purl/1315507. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1315507,
title = {Materials Data on NaTiO3 by Materials Project},
author = {The Materials Project},
abstractNote = {NaTiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na is bonded to twelve equivalent O atoms to form NaO12 cuboctahedra that share corners with twelve equivalent NaO12 cuboctahedra, faces with six equivalent NaO12 cuboctahedra, and faces with eight equivalent TiO6 octahedra. All Na–O bond lengths are 2.76 Å. Ti is bonded to six equivalent O atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra and faces with eight equivalent NaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–O bond lengths are 1.95 Å. O is bonded in a distorted linear geometry to four equivalent Na and two equivalent Ti atoms.},
doi = {10.17188/1315507},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}