Materials Data on CeThCN by Materials Project
Abstract
ThCeCN is alpha Po-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Th4+ is bonded to four equivalent C4- and two equivalent N3- atoms to form ThC4N2 octahedra that share corners with six equivalent ThC4N2 octahedra, edges with four equivalent ThC4N2 octahedra, and edges with eight equivalent CeC2N4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Th–C bond lengths are 2.62 Å. Both Th–N bond lengths are 2.59 Å. Ce3+ is bonded to two equivalent C4- and four equivalent N3- atoms to form CeC2N4 octahedra that share corners with six equivalent CeC2N4 octahedra, edges with four equivalent CeC2N4 octahedra, and edges with eight equivalent ThC4N2 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Ce–C bond lengths are 2.59 Å. All Ce–N bond lengths are 2.62 Å. C4- is bonded to four equivalent Th4+ and two equivalent Ce3+ atoms to form CCe2Th4 octahedra that share corners with six equivalent CCe2Th4 octahedra, edges with four equivalent CCe2Th4 octahedra, and edges with eight equivalent NCe4Th2 octahedra. The corner-sharing octahedral tilt angles are 0°. N3- is bonded to two equivalent Th4+ and four equivalent Ce3+ atoms to form NCe4Th2 octahedra that share corners with six equivalent NCe4Th2more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1226550
- 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; CeThCN; C-Ce-N-Th
- OSTI Identifier:
- 1746982
- DOI:
- https://doi.org/10.17188/1746982
Citation Formats
The Materials Project. Materials Data on CeThCN by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1746982.
The Materials Project. Materials Data on CeThCN by Materials Project. United States. doi:https://doi.org/10.17188/1746982
The Materials Project. 2020.
"Materials Data on CeThCN by Materials Project". United States. doi:https://doi.org/10.17188/1746982. https://www.osti.gov/servlets/purl/1746982. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1746982,
title = {Materials Data on CeThCN by Materials Project},
author = {The Materials Project},
abstractNote = {ThCeCN is alpha Po-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Th4+ is bonded to four equivalent C4- and two equivalent N3- atoms to form ThC4N2 octahedra that share corners with six equivalent ThC4N2 octahedra, edges with four equivalent ThC4N2 octahedra, and edges with eight equivalent CeC2N4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Th–C bond lengths are 2.62 Å. Both Th–N bond lengths are 2.59 Å. Ce3+ is bonded to two equivalent C4- and four equivalent N3- atoms to form CeC2N4 octahedra that share corners with six equivalent CeC2N4 octahedra, edges with four equivalent CeC2N4 octahedra, and edges with eight equivalent ThC4N2 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Ce–C bond lengths are 2.59 Å. All Ce–N bond lengths are 2.62 Å. C4- is bonded to four equivalent Th4+ and two equivalent Ce3+ atoms to form CCe2Th4 octahedra that share corners with six equivalent CCe2Th4 octahedra, edges with four equivalent CCe2Th4 octahedra, and edges with eight equivalent NCe4Th2 octahedra. The corner-sharing octahedral tilt angles are 0°. N3- is bonded to two equivalent Th4+ and four equivalent Ce3+ atoms to form NCe4Th2 octahedra that share corners with six equivalent NCe4Th2 octahedra, edges with four equivalent NCe4Th2 octahedra, and edges with eight equivalent CCe2Th4 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1746982},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}