U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SmCoC6N6O5 by Materials Project
Abstract
CoSmC6N6O5 crystallizes in the hexagonal P6_3/m space group. The structure is two-dimensional and consists of two cobalt molecules and two SmC6N6O5 sheets oriented in the (0, 0, 1) direction. In each SmC6N6O5 sheet, Sm3+ is bonded in a 9-coordinate geometry to six equivalent N3- and three equivalent O2- atoms. All Sm–N bond lengths are 2.46 Å. All Sm–O bond lengths are 2.69 Å. C4+ is bonded in a distorted single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a distorted linear geometry to one Sm3+, one C4+, and two equivalent O2- atoms. There are one shorter (2.84 Å) and one longer (2.86 Å) N–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Sm3+, four equivalent N3-, and two equivalent O2- atoms. Both O–O bond lengths are 2.11 Å. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four O2- atoms. The O–O bond length is 2.31 Å.
- Publication Date:
- Other Number(s):
- mp-1208956
- 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-Co-N-O-Sm; SmCoC6N6O5; crystal structure
- OSTI Identifier:
- 1699899
- DOI:
- https://doi.org/10.17188/1699899
Citation Formats
Materials Data on SmCoC6N6O5 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1699899.
Materials Data on SmCoC6N6O5 by Materials Project. United States. doi:https://doi.org/10.17188/1699899
2019.
"Materials Data on SmCoC6N6O5 by Materials Project". United States. doi:https://doi.org/10.17188/1699899. https://www.osti.gov/servlets/purl/1699899. Pub date:Fri Jan 11 23:00:00 EST 2019
@article{osti_1699899,
title = {Materials Data on SmCoC6N6O5 by Materials Project},
abstractNote = {CoSmC6N6O5 crystallizes in the hexagonal P6_3/m space group. The structure is two-dimensional and consists of two cobalt molecules and two SmC6N6O5 sheets oriented in the (0, 0, 1) direction. In each SmC6N6O5 sheet, Sm3+ is bonded in a 9-coordinate geometry to six equivalent N3- and three equivalent O2- atoms. All Sm–N bond lengths are 2.46 Å. All Sm–O bond lengths are 2.69 Å. C4+ is bonded in a distorted single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a distorted linear geometry to one Sm3+, one C4+, and two equivalent O2- atoms. There are one shorter (2.84 Å) and one longer (2.86 Å) N–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Sm3+, four equivalent N3-, and two equivalent O2- atoms. Both O–O bond lengths are 2.11 Å. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four O2- atoms. The O–O bond length is 2.31 Å.},
doi = {10.17188/1699899},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}