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Title: Materials Data on NaBiO3 by Materials Project

Abstract

NaBiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form distorted NaO6 octahedra that share corners with nine equivalent BiO6 octahedra, edges with three equivalent NaO6 octahedra, and a faceface with one BiO6 octahedra. The corner-sharing octahedra tilt angles range from 39–62°. There are three shorter (2.39 Å) and three longer (2.60 Å) Na–O bond lengths. Bi5+ is bonded to six equivalent O2- atoms to form BiO6 octahedra that share corners with nine equivalent NaO6 octahedra, edges with three equivalent BiO6 octahedra, and a faceface with one NaO6 octahedra. The corner-sharing octahedra tilt angles range from 39–62°. There are three shorter (2.14 Å) and three longer (2.18 Å) Bi–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Na1+ and two equivalent Bi5+ atoms.

Publication Date:
Other Number(s):
mp-23054
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; NaBiO3; Bi-Na-O
OSTI Identifier:
1199199
DOI:
https://doi.org/10.17188/1199199

Citation Formats

The Materials Project. Materials Data on NaBiO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199199.
The Materials Project. Materials Data on NaBiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1199199
The Materials Project. 2020. "Materials Data on NaBiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1199199. https://www.osti.gov/servlets/purl/1199199. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1199199,
title = {Materials Data on NaBiO3 by Materials Project},
author = {The Materials Project},
abstractNote = {NaBiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form distorted NaO6 octahedra that share corners with nine equivalent BiO6 octahedra, edges with three equivalent NaO6 octahedra, and a faceface with one BiO6 octahedra. The corner-sharing octahedra tilt angles range from 39–62°. There are three shorter (2.39 Å) and three longer (2.60 Å) Na–O bond lengths. Bi5+ is bonded to six equivalent O2- atoms to form BiO6 octahedra that share corners with nine equivalent NaO6 octahedra, edges with three equivalent BiO6 octahedra, and a faceface with one NaO6 octahedra. The corner-sharing octahedra tilt angles range from 39–62°. There are three shorter (2.14 Å) and three longer (2.18 Å) Bi–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Na1+ and two equivalent Bi5+ atoms.},
doi = {10.17188/1199199},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}