Materials Data on CrCo3C16NO14 by Materials Project
Abstract
CrCo3C16NO14 is gamma plutonium-like structured and crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two CrCo3C16NO14 clusters. Cr3+ is bonded in an octahedral geometry to six C+1.38+ atoms. There are a spread of Cr–C bond distances ranging from 1.90–1.95 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in a 4-coordinate geometry to four C+1.38+ atoms. There are a spread of Co–C bond distances ranging from 1.76–1.91 Å. In the second Co2+ site, Co2+ is bonded in a 4-coordinate geometry to four C+1.38+ atoms. There are a spread of Co–C bond distances ranging from 1.77–1.90 Å. There are eleven inequivalent C+1.38+ sites. In the first C+1.38+ site, C+1.38+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+1.38+ site, C+1.38+ is bonded in a linear geometry to one Cr3+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+1.38+ site, C+1.38+ is bonded in a linear geometry to one Cr3+ and one N3- atom. The C–N bond length is 1.19 Å. In the fourth C+1.38+ site, C+1.38+ is bondedmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-648394
- 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; CrCo3C16NO14; C-Co-Cr-N-O
- OSTI Identifier:
- 1280821
- DOI:
- https://doi.org/10.17188/1280821
Citation Formats
The Materials Project. Materials Data on CrCo3C16NO14 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1280821.
The Materials Project. Materials Data on CrCo3C16NO14 by Materials Project. United States. doi:https://doi.org/10.17188/1280821
The Materials Project. 2020.
"Materials Data on CrCo3C16NO14 by Materials Project". United States. doi:https://doi.org/10.17188/1280821. https://www.osti.gov/servlets/purl/1280821. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1280821,
title = {Materials Data on CrCo3C16NO14 by Materials Project},
author = {The Materials Project},
abstractNote = {CrCo3C16NO14 is gamma plutonium-like structured and crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two CrCo3C16NO14 clusters. Cr3+ is bonded in an octahedral geometry to six C+1.38+ atoms. There are a spread of Cr–C bond distances ranging from 1.90–1.95 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in a 4-coordinate geometry to four C+1.38+ atoms. There are a spread of Co–C bond distances ranging from 1.76–1.91 Å. In the second Co2+ site, Co2+ is bonded in a 4-coordinate geometry to four C+1.38+ atoms. There are a spread of Co–C bond distances ranging from 1.77–1.90 Å. There are eleven inequivalent C+1.38+ sites. In the first C+1.38+ site, C+1.38+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+1.38+ site, C+1.38+ is bonded in a linear geometry to one Cr3+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+1.38+ site, C+1.38+ is bonded in a linear geometry to one Cr3+ and one N3- atom. The C–N bond length is 1.19 Å. In the fourth C+1.38+ site, C+1.38+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the fifth C+1.38+ site, C+1.38+ is bonded in a linear geometry to one Cr3+ and one O2- atom. The C–O bond length is 1.16 Å. In the sixth C+1.38+ site, C+1.38+ is bonded in a distorted single-bond geometry to three Co2+ and one N3- atom. The C–N bond length is 1.34 Å. In the seventh C+1.38+ site, C+1.38+ is bonded in a distorted linear geometry to one Cr3+ and one O2- atom. The C–O bond length is 1.16 Å. In the eighth C+1.38+ site, C+1.38+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the ninth C+1.38+ site, C+1.38+ is bonded in a linear geometry to one Cr3+ and one O2- atom. The C–O bond length is 1.16 Å. In the tenth C+1.38+ site, C+1.38+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the eleventh C+1.38+ site, C+1.38+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. N3- is bonded in a linear geometry to two C+1.38+ atoms. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom.},
doi = {10.17188/1280821},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}