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Title: Materials Data on RbC2N3 by Materials Project

Abstract

RbC2N3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of Rb–N bond distances ranging from 3.05–3.46 Å. In the second Rb1+ site, Rb1+ is bonded to seven N3- atoms to form distorted edge-sharing RbN7 pentagonal bipyramids. There are a spread of Rb–N bond distances ranging from 3.03–3.20 Å. In the third Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of Rb–N bond distances ranging from 3.06–3.40 Å. In the fourth Rb1+ site, Rb1+ is bonded to seven N3- atoms to form distorted edge-sharing RbN7 pentagonal bipyramids. There are a spread of Rb–N bond distances ranging from 3.02–3.18 Å. In the fifth Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of Rb–N bond distances ranging from 3.06–3.43 Å. In the sixth Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of Rb–N bond distances ranging from 3.06–3.41 Å. In the seventh Rb1+ site, Rb1+ is bondedmore » to seven N3- atoms to form distorted edge-sharing RbN7 pentagonal bipyramids. There are a spread of Rb–N bond distances ranging from 3.04–3.19 Å. In the eighth Rb1+ site, Rb1+ is bonded to seven N3- atoms to form distorted edge-sharing RbN7 pentagonal bipyramids. There are a spread of Rb–N bond distances ranging from 3.02–3.21 Å. There are sixteen inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the third C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the fourth C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the fifth C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the sixth C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the seventh C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the eighth C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the ninth C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the tenth C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the eleventh C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the twelfth C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the thirteenth C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.19 Å) and one longer (1.30 Å) C–N bond length. In the fourteenth C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the fifteenth C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the sixteenth C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. There are twenty-four inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 120 degrees geometry to one Rb1+ and two C4+ atoms. In the second N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom. In the third N3- site, N3- is bonded in a distorted single-bond geometry to two Rb1+ and one C4+ atom. In the fourth N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom. In the fifth N3- site, N3- is bonded in a distorted bent 120 degrees geometry to two Rb1+ and two C4+ atoms. In the sixth N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom. In the seventh N3- site, N3- is bonded in a distorted single-bond geometry to two Rb1+ and one C4+ atom. In the eighth N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom. In the ninth N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom. In the tenth N3- site, N3- is bonded in a distorted bent 120 degrees geometry to two Rb1+ and two C4+ atoms. In the eleventh N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom. In the twelfth N3- site, N3- is bonded in a distorted bent 120 degrees geometry to two Rb1+ and two C4+ atoms. In the thirteenth N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom. In the fourteenth N3- site, N3- is bonded in a distorted single-bond geometry to two Rb1+ and one C4+ atom. In the fifteenth N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom. In the sixteenth N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom. In the seventeenth N3- site, N3- is bonded in a distorted bent 120 degrees geometry to one Rb1+ and two C4+ atoms. In the eighteenth N3- site, N3- is bonded in a distorted bent 120 degrees geometry to one Rb1+ and two C4+ atoms. In the nineteenth N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom. In the twentieth N3- site, N3- is bonded in a distorted single-bond geometry to two Rb1+ and one C4+ atom. In the twenty-first N3- site, N3- is bonded in a distorted bent 120 degrees geometry to two Rb1+ and two C4+ atoms. In the twenty-second N3- site, N3- is bonded in a distorted bent 120 degrees geometry to one Rb1+ and two C4+ atoms. In the twenty-third N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom. In the twenty-fourth N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-672200
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:
1281760
DOI:
https://doi.org/10.17188/1281760

Citation Formats

The Materials Project. Materials Data on RbC2N3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1281760.
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The Materials Project. Materials Data on RbC2N3 by Materials Project. United States. doi:https://doi.org/10.17188/1281760
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The Materials Project. 2019. "Materials Data on RbC2N3 by Materials Project". United States. doi:https://doi.org/10.17188/1281760. https://www.osti.gov/servlets/purl/1281760. Pub date:Fri Jan 11 00:00:00 EST 2019
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@article{osti_1281760,
title = {Materials Data on RbC2N3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbC2N3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of Rb–N bond distances ranging from 3.05–3.46 Å. In the second Rb1+ site, Rb1+ is bonded to seven N3- atoms to form distorted edge-sharing RbN7 pentagonal bipyramids. There are a spread of Rb–N bond distances ranging from 3.03–3.20 Å. In the third Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of Rb–N bond distances ranging from 3.06–3.40 Å. In the fourth Rb1+ site, Rb1+ is bonded to seven N3- atoms to form distorted edge-sharing RbN7 pentagonal bipyramids. There are a spread of Rb–N bond distances ranging from 3.02–3.18 Å. In the fifth Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of Rb–N bond distances ranging from 3.06–3.43 Å. In the sixth Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of Rb–N bond distances ranging from 3.06–3.41 Å. In the seventh Rb1+ site, Rb1+ is bonded to seven N3- atoms to form distorted edge-sharing RbN7 pentagonal bipyramids. There are a spread of Rb–N bond distances ranging from 3.04–3.19 Å. In the eighth Rb1+ site, Rb1+ is bonded to seven N3- atoms to form distorted edge-sharing RbN7 pentagonal bipyramids. There are a spread of Rb–N bond distances ranging from 3.02–3.21 Å. There are sixteen inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the third C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the fourth C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the fifth C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the sixth C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the seventh C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the eighth C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the ninth C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the tenth C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the eleventh C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the twelfth C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the thirteenth C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.19 Å) and one longer (1.30 Å) C–N bond length. In the fourteenth C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the fifteenth C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the sixteenth C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. There are twenty-four inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 120 degrees geometry to one Rb1+ and two C4+ atoms. In the second N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom. In the third N3- site, N3- is bonded in a distorted single-bond geometry to two Rb1+ and one C4+ atom. In the fourth N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom. In the fifth N3- site, N3- is bonded in a distorted bent 120 degrees geometry to two Rb1+ and two C4+ atoms. In the sixth N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom. In the seventh N3- site, N3- is bonded in a distorted single-bond geometry to two Rb1+ and one C4+ atom. In the eighth N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom. In the ninth N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom. In the tenth N3- site, N3- is bonded in a distorted bent 120 degrees geometry to two Rb1+ and two C4+ atoms. In the eleventh N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom. In the twelfth N3- site, N3- is bonded in a distorted bent 120 degrees geometry to two Rb1+ and two C4+ atoms. In the thirteenth N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom. In the fourteenth N3- site, N3- is bonded in a distorted single-bond geometry to two Rb1+ and one C4+ atom. In the fifteenth N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom. In the sixteenth N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom. In the seventeenth N3- site, N3- is bonded in a distorted bent 120 degrees geometry to one Rb1+ and two C4+ atoms. In the eighteenth N3- site, N3- is bonded in a distorted bent 120 degrees geometry to one Rb1+ and two C4+ atoms. In the nineteenth N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom. In the twentieth N3- site, N3- is bonded in a distorted single-bond geometry to two Rb1+ and one C4+ atom. In the twenty-first N3- site, N3- is bonded in a distorted bent 120 degrees geometry to two Rb1+ and two C4+ atoms. In the twenty-second N3- site, N3- is bonded in a distorted bent 120 degrees geometry to one Rb1+ and two C4+ atoms. In the twenty-third N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom. In the twenty-fourth N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom.},
doi = {10.17188/1281760},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}
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DOI: https://doi.org/10.17188/1281760
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