U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SmThCN by Materials Project
Abstract
ThSmCN is alpha Po-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Th4+ is bonded to three equivalent C4- and three equivalent N3- atoms to form ThC3N3 octahedra that share corners with six equivalent SmC3N3 octahedra, edges with six equivalent ThC3N3 octahedra, and edges with six equivalent SmC3N3 octahedra. The corner-sharing octahedral tilt angles are 2°. All Th–C bond lengths are 2.59 Å. All Th–N bond lengths are 2.59 Å. Sm3+ is bonded to three equivalent C4- and three equivalent N3- atoms to form SmC3N3 octahedra that share corners with six equivalent ThC3N3 octahedra, edges with six equivalent ThC3N3 octahedra, and edges with six equivalent SmC3N3 octahedra. The corner-sharing octahedral tilt angles are 2°. All Sm–C bond lengths are 2.66 Å. All Sm–N bond lengths are 2.65 Å. C4- is bonded to three equivalent Th4+ and three equivalent Sm3+ atoms to form CSm3Th3 octahedra that share corners with six equivalent NSm3Th3 octahedra, edges with six equivalent CSm3Th3 octahedra, and edges with six equivalent NSm3Th3 octahedra. The corner-sharing octahedral tilt angles are 0°. N3- is bonded to three equivalent Th4+ and three equivalent Sm3+ atoms to form NSm3Th3 octahedra that share corners with six equivalent CSm3Th3more »
- Publication Date:
- Other Number(s):
- mp-1218989
- 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; C-N-Sm-Th; SmThCN; crystal structure
- OSTI Identifier:
- 1681725
- DOI:
- https://doi.org/10.17188/1681725
Citation Formats
Materials Data on SmThCN by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1681725.
Materials Data on SmThCN by Materials Project. United States. doi:https://doi.org/10.17188/1681725
2020.
"Materials Data on SmThCN by Materials Project". United States. doi:https://doi.org/10.17188/1681725. https://www.osti.gov/servlets/purl/1681725. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1681725,
title = {Materials Data on SmThCN by Materials Project},
abstractNote = {ThSmCN is alpha Po-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Th4+ is bonded to three equivalent C4- and three equivalent N3- atoms to form ThC3N3 octahedra that share corners with six equivalent SmC3N3 octahedra, edges with six equivalent ThC3N3 octahedra, and edges with six equivalent SmC3N3 octahedra. The corner-sharing octahedral tilt angles are 2°. All Th–C bond lengths are 2.59 Å. All Th–N bond lengths are 2.59 Å. Sm3+ is bonded to three equivalent C4- and three equivalent N3- atoms to form SmC3N3 octahedra that share corners with six equivalent ThC3N3 octahedra, edges with six equivalent ThC3N3 octahedra, and edges with six equivalent SmC3N3 octahedra. The corner-sharing octahedral tilt angles are 2°. All Sm–C bond lengths are 2.66 Å. All Sm–N bond lengths are 2.65 Å. C4- is bonded to three equivalent Th4+ and three equivalent Sm3+ atoms to form CSm3Th3 octahedra that share corners with six equivalent NSm3Th3 octahedra, edges with six equivalent CSm3Th3 octahedra, and edges with six equivalent NSm3Th3 octahedra. The corner-sharing octahedral tilt angles are 0°. N3- is bonded to three equivalent Th4+ and three equivalent Sm3+ atoms to form NSm3Th3 octahedra that share corners with six equivalent CSm3Th3 octahedra, edges with six equivalent CSm3Th3 octahedra, and edges with six equivalent NSm3Th3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1681725},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}