U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr4Nb2O9 by Materials Project
Abstract
Sr4Nb2O9 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are five inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.66–3.10 Å. In the second Sr2+ site, Sr2+ is bonded to six O2- atoms to form SrO6 octahedra that share corners with six NbO6 octahedra. The corner-sharing octahedra tilt angles range from 7–28°. There are two shorter (2.39 Å) and four longer (2.40 Å) Sr–O bond lengths. In the third Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.61–3.13 Å. In the fourth Sr2+ site, Sr2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–3.20 Å. In the fifth Sr2+ site, Sr2+ is bonded to six O2- atoms to form SrO6 octahedra that share corners with six NbO6 octahedra. The corner-sharing octahedra tilt angles range from 6–32°. There are a spread of Sr–O bond distances ranging from 2.37–2.50 Å. There are three inequivalent Nb5+ sites. In the first Nb5+more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-675416
- 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; Sr4Nb2O9; Nb-O-Sr
- OSTI Identifier:
- 1282692
- DOI:
- https://doi.org/10.17188/1282692
Citation Formats
The Materials Project. Materials Data on Sr4Nb2O9 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1282692.
The Materials Project. Materials Data on Sr4Nb2O9 by Materials Project. United States. doi:https://doi.org/10.17188/1282692
The Materials Project. 2020.
"Materials Data on Sr4Nb2O9 by Materials Project". United States. doi:https://doi.org/10.17188/1282692. https://www.osti.gov/servlets/purl/1282692. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1282692,
title = {Materials Data on Sr4Nb2O9 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr4Nb2O9 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are five inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.66–3.10 Å. In the second Sr2+ site, Sr2+ is bonded to six O2- atoms to form SrO6 octahedra that share corners with six NbO6 octahedra. The corner-sharing octahedra tilt angles range from 7–28°. There are two shorter (2.39 Å) and four longer (2.40 Å) Sr–O bond lengths. In the third Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.61–3.13 Å. In the fourth Sr2+ site, Sr2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–3.20 Å. In the fifth Sr2+ site, Sr2+ is bonded to six O2- atoms to form SrO6 octahedra that share corners with six NbO6 octahedra. The corner-sharing octahedra tilt angles range from 6–32°. There are a spread of Sr–O bond distances ranging from 2.37–2.50 Å. There are three inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with two equivalent NbO6 octahedra and corners with four SrO6 octahedra. The corner-sharing octahedra tilt angles range from 4–7°. There are a spread of Nb–O bond distances ranging from 1.97–2.14 Å. In the second Nb5+ site, Nb5+ is bonded to six O2- atoms to form distorted NbO6 octahedra that share corners with two equivalent NbO6 octahedra and corners with four SrO6 octahedra. The corner-sharing octahedra tilt angles range from 6–32°. There are a spread of Nb–O bond distances ranging from 1.89–2.37 Å. In the third Nb5+ site, Nb5+ is bonded to six O2- atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 4–8°. There are a spread of Nb–O bond distances ranging from 1.92–2.19 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Nb5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to five Sr2+ and one Nb5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four Sr2+ and two Nb5+ atoms. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+ and two Nb5+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to four Sr2+ and two Nb5+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to four Sr2+ and one Nb5+ atom. In the seventh O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Nb5+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to five Sr2+ and one Nb5+ atom. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Nb5+ atom.},
doi = {10.17188/1282692},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}