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Title: Materials Data on CsRuN2 by Materials Project

Abstract

CsRuN2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are ten inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to twelve N3- atoms. There are a spread of Cs–N bond distances ranging from 3.52–3.67 Å. In the second Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to twelve N3- atoms. There are a spread of Cs–N bond distances ranging from 3.52–3.67 Å. In the third Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to twelve N3- atoms. There are a spread of Cs–N bond distances ranging from 3.51–3.66 Å. In the fourth Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to twelve N3- atoms. There are a spread of Cs–N bond distances ranging from 3.51–3.67 Å. In the fifth Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to twelve N3- atoms. There are a spread of Cs–N bond distances ranging from 3.52–3.67 Å. In the sixth Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to twelve N3- atoms. There are a spread of Cs–N bond distances ranging from 3.53–3.67 Å. In the seventh Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to twelvemore » N3- atoms. There are a spread of Cs–N bond distances ranging from 3.52–3.67 Å. In the eighth Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to twelve N3- atoms. There are a spread of Cs–N bond distances ranging from 3.52–3.66 Å. In the ninth Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to twelve N3- atoms. There are a spread of Cs–N bond distances ranging from 3.56–3.64 Å. In the tenth Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to twelve N3- atoms. There are a spread of Cs–N bond distances ranging from 3.56–3.65 Å. There are ten inequivalent Ru5+ sites. In the first Ru5+ site, Ru5+ is bonded to four N3- atoms to form corner-sharing RuN4 tetrahedra. All Ru–N bond lengths are 1.87 Å. In the second Ru5+ site, Ru5+ is bonded to four N3- atoms to form corner-sharing RuN4 tetrahedra. All Ru–N bond lengths are 1.87 Å. In the third Ru5+ site, Ru5+ is bonded to four N3- atoms to form corner-sharing RuN4 tetrahedra. There is three shorter (1.87 Å) and one longer (1.88 Å) Ru–N bond length. In the fourth Ru5+ site, Ru5+ is bonded to four N3- atoms to form corner-sharing RuN4 tetrahedra. All Ru–N bond lengths are 1.87 Å. In the fifth Ru5+ site, Ru5+ is bonded to four N3- atoms to form corner-sharing RuN4 tetrahedra. All Ru–N bond lengths are 1.87 Å. In the sixth Ru5+ site, Ru5+ is bonded to four N3- atoms to form corner-sharing RuN4 tetrahedra. There is three shorter (1.87 Å) and one longer (1.88 Å) Ru–N bond length. In the seventh Ru5+ site, Ru5+ is bonded to four N3- atoms to form corner-sharing RuN4 tetrahedra. All Ru–N bond lengths are 1.87 Å. In the eighth Ru5+ site, Ru5+ is bonded to four N3- atoms to form corner-sharing RuN4 tetrahedra. There is three shorter (1.87 Å) and one longer (1.88 Å) Ru–N bond length. In the ninth Ru5+ site, Ru5+ is bonded to four N3- atoms to form corner-sharing RuN4 tetrahedra. All Ru–N bond lengths are 1.87 Å. In the tenth Ru5+ site, Ru5+ is bonded to four N3- atoms to form corner-sharing RuN4 tetrahedra. There is three shorter (1.87 Å) and one longer (1.88 Å) Ru–N bond length. There are twenty inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to six Cs1+ and two Ru5+ atoms. In the second N3- site, N3- is bonded in a linear geometry to six Cs1+ and two Ru5+ atoms. In the third N3- site, N3- is bonded in a linear geometry to six Cs1+ and two Ru5+ atoms. In the fourth N3- site, N3- is bonded in a linear geometry to six Cs1+ and two Ru5+ atoms. In the fifth N3- site, N3- is bonded in a linear geometry to six Cs1+ and two Ru5+ atoms. In the sixth N3- site, N3- is bonded in a linear geometry to six Cs1+ and two Ru5+ atoms. In the seventh N3- site, N3- is bonded in a linear geometry to six Cs1+ and two Ru5+ atoms. In the eighth N3- site, N3- is bonded in a linear geometry to six Cs1+ and two Ru5+ atoms. In the ninth N3- site, N3- is bonded in a linear geometry to six Cs1+ and two Ru5+ atoms. In the tenth N3- site, N3- is bonded in a linear geometry to six Cs1+ and two Ru5+ atoms. In the eleventh N3- site, N3- is bonded in a linear geometry to six Cs1+ and two Ru5+ atoms. In the twelfth N3- site, N3- is bonded in a linear geometry to six Cs1+ and two Ru5+ atoms. In the thirteenth N3- site, N3- is bonded in a linear geometry to six Cs1+ and two Ru5+ atoms. In the fourteenth N3- site, N3- is bonded in a linear geometry to six Cs1+ and two Ru5+ atoms. In the fifteenth N3- site, N3- is bonded in a linear geometry to six Cs1+ and two Ru5+ atoms. In the sixteenth N3- site, N3- is bonded in a linear geometry to six Cs1+ and two Ru5+ atoms. In the seventeenth N3- site, N3- is bonded in a linear geometry to six Cs1+ and two Ru5+ atoms. In the eighteenth N3- site, N3- is bonded in a linear geometry to six Cs1+ and two Ru5+ atoms. In the nineteenth N3- site, N3- is bonded in a linear geometry to six Cs1+ and two Ru5+ atoms. In the twentieth N3- site, N3- is bonded in a linear geometry to six Cs1+ and two Ru5+ atoms.« less

Publication Date:
Other Number(s):
mp-1029960
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; CsRuN2; Cs-N-Ru
OSTI Identifier:
1680666
DOI:
https://doi.org/10.17188/1680666

Citation Formats

The Materials Project. Materials Data on CsRuN2 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1680666.
The Materials Project. Materials Data on CsRuN2 by Materials Project. United States. doi:https://doi.org/10.17188/1680666
The Materials Project. 2018. "Materials Data on CsRuN2 by Materials Project". United States. doi:https://doi.org/10.17188/1680666. https://www.osti.gov/servlets/purl/1680666. Pub date:Sun Jun 03 00:00:00 EDT 2018
@article{osti_1680666,
title = {Materials Data on CsRuN2 by Materials Project},
author = {The Materials Project},
abstractNote = {CsRuN2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are ten inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to twelve N3- atoms. There are a spread of Cs–N bond distances ranging from 3.52–3.67 Å. In the second Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to twelve N3- atoms. There are a spread of Cs–N bond distances ranging from 3.52–3.67 Å. In the third Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to twelve N3- atoms. There are a spread of Cs–N bond distances ranging from 3.51–3.66 Å. In the fourth Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to twelve N3- atoms. There are a spread of Cs–N bond distances ranging from 3.51–3.67 Å. In the fifth Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to twelve N3- atoms. There are a spread of Cs–N bond distances ranging from 3.52–3.67 Å. In the sixth Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to twelve N3- atoms. There are a spread of Cs–N bond distances ranging from 3.53–3.67 Å. In the seventh Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to twelve N3- atoms. There are a spread of Cs–N bond distances ranging from 3.52–3.67 Å. In the eighth Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to twelve N3- atoms. There are a spread of Cs–N bond distances ranging from 3.52–3.66 Å. In the ninth Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to twelve N3- atoms. There are a spread of Cs–N bond distances ranging from 3.56–3.64 Å. In the tenth Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to twelve N3- atoms. There are a spread of Cs–N bond distances ranging from 3.56–3.65 Å. There are ten inequivalent Ru5+ sites. In the first Ru5+ site, Ru5+ is bonded to four N3- atoms to form corner-sharing RuN4 tetrahedra. All Ru–N bond lengths are 1.87 Å. In the second Ru5+ site, Ru5+ is bonded to four N3- atoms to form corner-sharing RuN4 tetrahedra. All Ru–N bond lengths are 1.87 Å. In the third Ru5+ site, Ru5+ is bonded to four N3- atoms to form corner-sharing RuN4 tetrahedra. There is three shorter (1.87 Å) and one longer (1.88 Å) Ru–N bond length. In the fourth Ru5+ site, Ru5+ is bonded to four N3- atoms to form corner-sharing RuN4 tetrahedra. All Ru–N bond lengths are 1.87 Å. In the fifth Ru5+ site, Ru5+ is bonded to four N3- atoms to form corner-sharing RuN4 tetrahedra. All Ru–N bond lengths are 1.87 Å. In the sixth Ru5+ site, Ru5+ is bonded to four N3- atoms to form corner-sharing RuN4 tetrahedra. There is three shorter (1.87 Å) and one longer (1.88 Å) Ru–N bond length. In the seventh Ru5+ site, Ru5+ is bonded to four N3- atoms to form corner-sharing RuN4 tetrahedra. All Ru–N bond lengths are 1.87 Å. In the eighth Ru5+ site, Ru5+ is bonded to four N3- atoms to form corner-sharing RuN4 tetrahedra. There is three shorter (1.87 Å) and one longer (1.88 Å) Ru–N bond length. In the ninth Ru5+ site, Ru5+ is bonded to four N3- atoms to form corner-sharing RuN4 tetrahedra. All Ru–N bond lengths are 1.87 Å. In the tenth Ru5+ site, Ru5+ is bonded to four N3- atoms to form corner-sharing RuN4 tetrahedra. There is three shorter (1.87 Å) and one longer (1.88 Å) Ru–N bond length. There are twenty inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to six Cs1+ and two Ru5+ atoms. In the second N3- site, N3- is bonded in a linear geometry to six Cs1+ and two Ru5+ atoms. In the third N3- site, N3- is bonded in a linear geometry to six Cs1+ and two Ru5+ atoms. In the fourth N3- site, N3- is bonded in a linear geometry to six Cs1+ and two Ru5+ atoms. In the fifth N3- site, N3- is bonded in a linear geometry to six Cs1+ and two Ru5+ atoms. In the sixth N3- site, N3- is bonded in a linear geometry to six Cs1+ and two Ru5+ atoms. In the seventh N3- site, N3- is bonded in a linear geometry to six Cs1+ and two Ru5+ atoms. In the eighth N3- site, N3- is bonded in a linear geometry to six Cs1+ and two Ru5+ atoms. In the ninth N3- site, N3- is bonded in a linear geometry to six Cs1+ and two Ru5+ atoms. In the tenth N3- site, N3- is bonded in a linear geometry to six Cs1+ and two Ru5+ atoms. In the eleventh N3- site, N3- is bonded in a linear geometry to six Cs1+ and two Ru5+ atoms. In the twelfth N3- site, N3- is bonded in a linear geometry to six Cs1+ and two Ru5+ atoms. In the thirteenth N3- site, N3- is bonded in a linear geometry to six Cs1+ and two Ru5+ atoms. In the fourteenth N3- site, N3- is bonded in a linear geometry to six Cs1+ and two Ru5+ atoms. In the fifteenth N3- site, N3- is bonded in a linear geometry to six Cs1+ and two Ru5+ atoms. In the sixteenth N3- site, N3- is bonded in a linear geometry to six Cs1+ and two Ru5+ atoms. In the seventeenth N3- site, N3- is bonded in a linear geometry to six Cs1+ and two Ru5+ atoms. In the eighteenth N3- site, N3- is bonded in a linear geometry to six Cs1+ and two Ru5+ atoms. In the nineteenth N3- site, N3- is bonded in a linear geometry to six Cs1+ and two Ru5+ atoms. In the twentieth N3- site, N3- is bonded in a linear geometry to six Cs1+ and two Ru5+ atoms.},
doi = {10.17188/1680666},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {6}
}