Materials Data on Sr2NdNbO6 by Materials Project
Abstract
Sr2NdNbO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent NdO6 octahedra, and faces with four equivalent NbO6 octahedra. All Sr–O bond lengths are 3.05 Å. Nd3+ is bonded to six equivalent O2- atoms to form NdO6 octahedra that share corners with six equivalent NbO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nd–O bond lengths are 2.30 Å. Nb5+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent NdO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–O bond lengths are 2.01 Å. O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Nd3+, and one Nb5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1207215
- 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; Sr2NdNbO6; Nb-Nd-O-Sr
- OSTI Identifier:
- 1696010
- DOI:
- https://doi.org/10.17188/1696010
Citation Formats
The Materials Project. Materials Data on Sr2NdNbO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1696010.
The Materials Project. Materials Data on Sr2NdNbO6 by Materials Project. United States. doi:https://doi.org/10.17188/1696010
The Materials Project. 2020.
"Materials Data on Sr2NdNbO6 by Materials Project". United States. doi:https://doi.org/10.17188/1696010. https://www.osti.gov/servlets/purl/1696010. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1696010,
title = {Materials Data on Sr2NdNbO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2NdNbO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent NdO6 octahedra, and faces with four equivalent NbO6 octahedra. All Sr–O bond lengths are 3.05 Å. Nd3+ is bonded to six equivalent O2- atoms to form NdO6 octahedra that share corners with six equivalent NbO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nd–O bond lengths are 2.30 Å. Nb5+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent NdO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–O bond lengths are 2.01 Å. O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Nd3+, and one Nb5+ atom.},
doi = {10.17188/1696010},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}