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Title: Materials Data on SrNb2Bi2O9 by Materials Project

Abstract

SrBi2Nb2O9 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.53–2.74 Å. Nb5+ is bonded to six O2- atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 20–25°. There are a spread of Nb–O bond distances ranging from 1.91–2.19 Å. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.19–2.71 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Nb5+ and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two equivalent Nb5+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+ and two equivalent Nb5+ atoms. In the fourth O2- site, O2- is bonded to four equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two equivalentmore » Nb5+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-23614
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; SrNb2Bi2O9; Bi-Nb-O-Sr
OSTI Identifier:
1199619
DOI:
https://doi.org/10.17188/1199619

Citation Formats

The Materials Project. Materials Data on SrNb2Bi2O9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199619.
The Materials Project. Materials Data on SrNb2Bi2O9 by Materials Project. United States. doi:https://doi.org/10.17188/1199619
The Materials Project. 2020. "Materials Data on SrNb2Bi2O9 by Materials Project". United States. doi:https://doi.org/10.17188/1199619. https://www.osti.gov/servlets/purl/1199619. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1199619,
title = {Materials Data on SrNb2Bi2O9 by Materials Project},
author = {The Materials Project},
abstractNote = {SrBi2Nb2O9 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.53–2.74 Å. Nb5+ is bonded to six O2- atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 20–25°. There are a spread of Nb–O bond distances ranging from 1.91–2.19 Å. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.19–2.71 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Nb5+ and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two equivalent Nb5+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+ and two equivalent Nb5+ atoms. In the fourth O2- site, O2- is bonded to four equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two equivalent Nb5+ atoms.},
doi = {10.17188/1199619},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}