U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on RbCoH24(C7N4)2 by Materials Project
Abstract
RbCo(CN)6(N(CH3)4)2 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional and consists of four tetramethylammonium molecules and one RbCo(CN)6 framework. In the RbCo(CN)6 framework, Rb1+ is bonded in an octahedral geometry to six N3- atoms. There are two shorter (3.14 Å) and four longer (3.30 Å) Rb–N bond lengths. Co1+ is bonded in an octahedral geometry to six C+0.14- atoms. There is two shorter (1.88 Å) and four longer (1.89 Å) Co–C bond length. There are five inequivalent C+0.14- sites. In the first C+0.14- site, C+0.14- is bonded in a linear geometry to one Co1+ and one N3- atom. The C–N bond length is 1.17 Å. In the second C+0.14- site, C+0.14- is bonded in a linear geometry to one Co1+ and one N3- atom. The C–Co bond length is 1.89 Å. The C–N bond length is 1.17 Å. In the third C+0.14- site, C+0.14- is bonded in a linear geometry to one Co1+ and one N3- atom. The C–N bond length is 1.17 Å. In the fourth C+0.14- site, C+0.14- is bonded in a linear geometry to one Co1+ and one N3- atom. The C–N bond length is 1.17 Å. In the fifth C+0.14- site, C+0.14- ismore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-698210
- 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; RbCoH24(C7N4)2; C-Co-H-N-Rb
- OSTI Identifier:
- 1285302
- DOI:
- https://doi.org/10.17188/1285302
Citation Formats
The Materials Project. Materials Data on RbCoH24(C7N4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1285302.
The Materials Project. Materials Data on RbCoH24(C7N4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1285302
The Materials Project. 2020.
"Materials Data on RbCoH24(C7N4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1285302. https://www.osti.gov/servlets/purl/1285302. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1285302,
title = {Materials Data on RbCoH24(C7N4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {RbCo(CN)6(N(CH3)4)2 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional and consists of four tetramethylammonium molecules and one RbCo(CN)6 framework. In the RbCo(CN)6 framework, Rb1+ is bonded in an octahedral geometry to six N3- atoms. There are two shorter (3.14 Å) and four longer (3.30 Å) Rb–N bond lengths. Co1+ is bonded in an octahedral geometry to six C+0.14- atoms. There is two shorter (1.88 Å) and four longer (1.89 Å) Co–C bond length. There are five inequivalent C+0.14- sites. In the first C+0.14- site, C+0.14- is bonded in a linear geometry to one Co1+ and one N3- atom. The C–N bond length is 1.17 Å. In the second C+0.14- site, C+0.14- is bonded in a linear geometry to one Co1+ and one N3- atom. The C–Co bond length is 1.89 Å. The C–N bond length is 1.17 Å. In the third C+0.14- site, C+0.14- is bonded in a linear geometry to one Co1+ and one N3- atom. The C–N bond length is 1.17 Å. In the fourth C+0.14- site, C+0.14- is bonded in a linear geometry to one Co1+ and one N3- atom. The C–N bond length is 1.17 Å. In the fifth C+0.14- site, C+0.14- is bonded in a linear geometry to one Co1+ and one N3- atom. The C–Co bond length is 1.89 Å. The C–N bond length is 1.17 Å. There are five inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to one Rb1+ and one C+0.14- atom. In the second N3- site, N3- is bonded in a single-bond geometry to one Rb1+ and one C+0.14- atom. In the third N3- site, N3- is bonded in a single-bond geometry to one Rb1+ and one C+0.14- atom. In the fourth N3- site, N3- is bonded in a single-bond geometry to one Rb1+ and one C+0.14- atom. The N–Rb bond length is 3.30 Å. In the fifth N3- site, N3- is bonded in a single-bond geometry to one Rb1+ and one C+0.14- atom. The N–Rb bond length is 3.30 Å. The N–C bond length is 1.17 Å.},
doi = {10.17188/1285302},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}