U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ce(C2N3)3 by Materials Project
Abstract
Ce(C2N3)3 crystallizes in the orthorhombic Cmcm space group. The structure is zero-dimensional and consists of four Ce(C2N3)3 clusters. Ce3+ is bonded in a 3-coordinate geometry to three N3- atoms. There are two shorter (2.16 Å) and one longer (2.61 Å) Ce–N bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a bent 150 degrees geometry to two N3- atoms. There is one shorter (1.61 Å) and one longer (2.21 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.22 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a 5-coordinate geometry to one Ce3+ and four equivalent C4+ atoms. In the second N3- site, N3- is bonded in an L-shaped geometry to one C4+ and one N3- atom. The N–N bond length is 1.19 Å. In the third N3- site, N3- is bonded in a linear geometry to two equivalent N3- atoms. In the fourth N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Ce3+ and one C4+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-672205
- 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; Ce(C2N3)3; C-Ce-N
- OSTI Identifier:
- 1281762
- DOI:
- https://doi.org/10.17188/1281762
Citation Formats
The Materials Project. Materials Data on Ce(C2N3)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1281762.
The Materials Project. Materials Data on Ce(C2N3)3 by Materials Project. United States. doi:https://doi.org/10.17188/1281762
The Materials Project. 2020.
"Materials Data on Ce(C2N3)3 by Materials Project". United States. doi:https://doi.org/10.17188/1281762. https://www.osti.gov/servlets/purl/1281762. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1281762,
title = {Materials Data on Ce(C2N3)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce(C2N3)3 crystallizes in the orthorhombic Cmcm space group. The structure is zero-dimensional and consists of four Ce(C2N3)3 clusters. Ce3+ is bonded in a 3-coordinate geometry to three N3- atoms. There are two shorter (2.16 Å) and one longer (2.61 Å) Ce–N bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a bent 150 degrees geometry to two N3- atoms. There is one shorter (1.61 Å) and one longer (2.21 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.22 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a 5-coordinate geometry to one Ce3+ and four equivalent C4+ atoms. In the second N3- site, N3- is bonded in an L-shaped geometry to one C4+ and one N3- atom. The N–N bond length is 1.19 Å. In the third N3- site, N3- is bonded in a linear geometry to two equivalent N3- atoms. In the fourth N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Ce3+ and one C4+ atom.},
doi = {10.17188/1281762},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}