U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on RbC2N3 by Materials Project
Abstract
RbC2N3 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one RbC2N3 sheet oriented in the (0, 0, 1) direction. there are four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Rb–N bond distances ranging from 2.94–3.50 Å. In the second Rb1+ site, Rb1+ is bonded in a single-bond geometry to one N3- atom. The Rb–N bond length is 2.92 Å. In the third Rb1+ site, Rb1+ is bonded in a distorted bent 150 degrees geometry to two N3- atoms. There are one shorter (3.04 Å) and one longer (3.26 Å) Rb–N bond lengths. In the fourth Rb1+ site, Rb1+ is bonded in a 2-coordinate geometry to four N3- atoms. There are a spread of Rb–N bond distances ranging from 2.94–3.63 Å. There are eight inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted linear geometry to two C4+ atoms. There is one shorter (1.23 Å) and one longer (1.35 Å) C–C bond length. In the second C4+ site, C4+ is bonded in a bent 120 degrees geometry to two N3- atoms. There ismore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1181457
- 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; RbC2N3; C-N-Rb
- OSTI Identifier:
- 1676950
- DOI:
- https://doi.org/10.17188/1676950
Citation Formats
The Materials Project. Materials Data on RbC2N3 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1676950.
The Materials Project. Materials Data on RbC2N3 by Materials Project. United States. doi:https://doi.org/10.17188/1676950
The Materials Project. 2019.
"Materials Data on RbC2N3 by Materials Project". United States. doi:https://doi.org/10.17188/1676950. https://www.osti.gov/servlets/purl/1676950. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1676950,
title = {Materials Data on RbC2N3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbC2N3 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one RbC2N3 sheet oriented in the (0, 0, 1) direction. there are four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Rb–N bond distances ranging from 2.94–3.50 Å. In the second Rb1+ site, Rb1+ is bonded in a single-bond geometry to one N3- atom. The Rb–N bond length is 2.92 Å. In the third Rb1+ site, Rb1+ is bonded in a distorted bent 150 degrees geometry to two N3- atoms. There are one shorter (3.04 Å) and one longer (3.26 Å) Rb–N bond lengths. In the fourth Rb1+ site, Rb1+ is bonded in a 2-coordinate geometry to four N3- atoms. There are a spread of Rb–N bond distances ranging from 2.94–3.63 Å. There are eight inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted linear geometry to two C4+ atoms. There is one shorter (1.23 Å) and one longer (1.35 Å) C–C bond length. In the second C4+ site, C4+ is bonded in a bent 120 degrees geometry to two N3- atoms. There is one shorter (1.35 Å) and one longer (1.37 Å) C–N bond length. In the third C4+ site, C4+ is bonded in a single-bond geometry to one C4+ atom. The C–C bond length is 1.26 Å. In the fourth C4+ site, C4+ is bonded in a distorted single-bond geometry to one C4+ and one N3- atom. The C–N bond length is 1.33 Å. In the fifth C4+ site, C4+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.20 Å. In the sixth C4+ site, C4+ is bonded in a single-bond geometry to one C4+ and one N3- atom. The C–N bond length is 1.18 Å. In the seventh C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.19 Å) and one longer (1.31 Å) C–N bond length. In the eighth C4+ site, C4+ is bonded in a single-bond geometry to one C4+ and one N3- atom. The C–N bond length is 1.39 Å. There are twelve inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Rb1+ and one N3- atom. The N–N bond length is 1.12 Å. In the second N3- site, N3- is bonded in a distorted bent 120 degrees geometry to one C4+ and one N3- atom. The N–N bond length is 1.37 Å. In the third N3- site, N3- is bonded in a 3-coordinate geometry to one C4+ and two N3- atoms. The N–N bond length is 1.26 Å. In the fourth N3- site, N3- is bonded in a 1-coordinate geometry to two Rb1+ and one C4+ atom. In the fifth N3- site, N3- is bonded in a distorted bent 120 degrees geometry to one Rb1+ and two C4+ atoms. In the sixth N3- site, N3- is bonded in a 3-coordinate geometry to two Rb1+ and one C4+ atom. In the seventh N3- site, N3- is bonded in a single-bond geometry to one N3- atom. In the eighth N3- site, N3- is bonded in a single-bond geometry to one N3- atom. The N–N bond length is 1.11 Å. In the ninth N3- site, N3- is bonded in a trigonal non-coplanar geometry to two Rb1+ and one N3- atom. In the tenth N3- site, N3- is bonded in a 2-coordinate geometry to two Rb1+ and one N3- atom. In the eleventh N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent Rb1+ atoms. In the twelfth N3- site, N3- is bonded in a linear geometry to two C4+ atoms.},
doi = {10.17188/1676950},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}
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