U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NdSmO2 by Materials Project
Abstract
SmNdO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sm2+ is bonded to six equivalent O2- atoms to form SmO6 octahedra that share corners with six equivalent NdO6 octahedra, edges with six equivalent SmO6 octahedra, and edges with six equivalent NdO6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Sm–O bond lengths are 2.44 Å. Nd2+ is bonded to six equivalent O2- atoms to form NdO6 octahedra that share corners with six equivalent SmO6 octahedra, edges with six equivalent SmO6 octahedra, and edges with six equivalent NdO6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Nd–O bond lengths are 2.58 Å. O2- is bonded to three equivalent Sm2+ and three equivalent Nd2+ atoms to form a mixture of edge and corner-sharing ONd3Sm3 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-755426
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Nd-O-Sm; NdSmO2; crystal structure
- OSTI Identifier:
- 1289987
- DOI:
- https://doi.org/10.17188/1289987
Citation Formats
Materials Data on NdSmO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1289987.
Materials Data on NdSmO2 by Materials Project. United States. doi:https://doi.org/10.17188/1289987
2020.
"Materials Data on NdSmO2 by Materials Project". United States. doi:https://doi.org/10.17188/1289987. https://www.osti.gov/servlets/purl/1289987. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1289987,
title = {Materials Data on NdSmO2 by Materials Project},
abstractNote = {SmNdO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sm2+ is bonded to six equivalent O2- atoms to form SmO6 octahedra that share corners with six equivalent NdO6 octahedra, edges with six equivalent SmO6 octahedra, and edges with six equivalent NdO6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Sm–O bond lengths are 2.44 Å. Nd2+ is bonded to six equivalent O2- atoms to form NdO6 octahedra that share corners with six equivalent SmO6 octahedra, edges with six equivalent SmO6 octahedra, and edges with six equivalent NdO6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Nd–O bond lengths are 2.58 Å. O2- is bonded to three equivalent Sm2+ and three equivalent Nd2+ atoms to form a mixture of edge and corner-sharing ONd3Sm3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1289987},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}