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Title: Materials Data on NaNb2Bi2O9 by Materials Project

Abstract

NaNb2Bi2O9 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.44–2.82 Å. Nb+4.50+ is bonded to six O2- atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 21–33°. There are a spread of Nb–O bond distances ranging from 1.88–2.24 Å. Bi4+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.22–2.91 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two equivalent Nb+4.50+ atoms. In the second O2- site, O2- is bonded to two equivalent Na1+ and two equivalent Nb+4.50+ atoms to form distorted corner-sharing ONa2Nb2 tetrahedra. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Nb+4.50+ and two equivalent Bi4+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, two equivalent Nb+4.50+, and one Bi4+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to four equivalentmore » Bi4+ atoms.« less

Publication Date:
Other Number(s):
mp-1210214
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; NaNb2Bi2O9; Bi-Na-Nb-O
OSTI Identifier:
1684157
DOI:
https://doi.org/10.17188/1684157

Citation Formats

The Materials Project. Materials Data on NaNb2Bi2O9 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1684157.
The Materials Project. Materials Data on NaNb2Bi2O9 by Materials Project. United States. doi:https://doi.org/10.17188/1684157
The Materials Project. 2019. "Materials Data on NaNb2Bi2O9 by Materials Project". United States. doi:https://doi.org/10.17188/1684157. https://www.osti.gov/servlets/purl/1684157. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1684157,
title = {Materials Data on NaNb2Bi2O9 by Materials Project},
author = {The Materials Project},
abstractNote = {NaNb2Bi2O9 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.44–2.82 Å. Nb+4.50+ is bonded to six O2- atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 21–33°. There are a spread of Nb–O bond distances ranging from 1.88–2.24 Å. Bi4+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.22–2.91 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two equivalent Nb+4.50+ atoms. In the second O2- site, O2- is bonded to two equivalent Na1+ and two equivalent Nb+4.50+ atoms to form distorted corner-sharing ONa2Nb2 tetrahedra. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Nb+4.50+ and two equivalent Bi4+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, two equivalent Nb+4.50+, and one Bi4+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent Bi4+ atoms.},
doi = {10.17188/1684157},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}