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Title: Materials Data on SrNbO3 by Materials Project

Abstract

SrNbO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Sr–O bond distances ranging from 2.65–3.23 Å. Nb4+ is bonded to six O2- atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 12–17°. There are two shorter (2.05 Å) and four longer (2.06 Å) Nb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Sr2+ and two equivalent Nb4+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Sr2+ and two equivalent Nb4+ atoms.

Publication Date:
Other Number(s):
mp-10339
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; SrNbO3; Nb-O-Sr
OSTI Identifier:
1186970
DOI:
https://doi.org/10.17188/1186970

Citation Formats

The Materials Project. Materials Data on SrNbO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1186970.
The Materials Project. Materials Data on SrNbO3 by Materials Project. United States. doi:https://doi.org/10.17188/1186970
The Materials Project. 2020. "Materials Data on SrNbO3 by Materials Project". United States. doi:https://doi.org/10.17188/1186970. https://www.osti.gov/servlets/purl/1186970. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1186970,
title = {Materials Data on SrNbO3 by Materials Project},
author = {The Materials Project},
abstractNote = {SrNbO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Sr–O bond distances ranging from 2.65–3.23 Å. Nb4+ is bonded to six O2- atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 12–17°. There are two shorter (2.05 Å) and four longer (2.06 Å) Nb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Sr2+ and two equivalent Nb4+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Sr2+ and two equivalent Nb4+ atoms.},
doi = {10.17188/1186970},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}