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Title: Materials Data on RbC2I3N2 by Materials Project

Abstract

RbC2N2I3 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Rb1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent N3- and two equivalent I1- atoms. There are two shorter (3.05 Å) and two longer (3.19 Å) Rb–N bond lengths. Both Rb–I bond lengths are 3.98 Å. C4+ is bonded in a distorted linear geometry to one N3- and one I1- atom. The C–N bond length is 1.17 Å. The C–I bond length is 2.07 Å. N3- is bonded in a 1-coordinate geometry to two equivalent Rb1+ and one C4+ atom. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted single-bond geometry to one C4+ and one I1- atom. The I–I bond length is 3.21 Å. In the second I1- site, I1- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent I1- atoms.

Publication Date:
Other Number(s):
mp-580962
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; RbC2I3N2; C-I-N-Rb
OSTI Identifier:
1276805
DOI:
https://doi.org/10.17188/1276805

Citation Formats

The Materials Project. Materials Data on RbC2I3N2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276805.
The Materials Project. Materials Data on RbC2I3N2 by Materials Project. United States. doi:https://doi.org/10.17188/1276805
The Materials Project. 2020. "Materials Data on RbC2I3N2 by Materials Project". United States. doi:https://doi.org/10.17188/1276805. https://www.osti.gov/servlets/purl/1276805. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1276805,
title = {Materials Data on RbC2I3N2 by Materials Project},
author = {The Materials Project},
abstractNote = {RbC2N2I3 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Rb1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent N3- and two equivalent I1- atoms. There are two shorter (3.05 Å) and two longer (3.19 Å) Rb–N bond lengths. Both Rb–I bond lengths are 3.98 Å. C4+ is bonded in a distorted linear geometry to one N3- and one I1- atom. The C–N bond length is 1.17 Å. The C–I bond length is 2.07 Å. N3- is bonded in a 1-coordinate geometry to two equivalent Rb1+ and one C4+ atom. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted single-bond geometry to one C4+ and one I1- atom. The I–I bond length is 3.21 Å. In the second I1- site, I1- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent I1- atoms.},
doi = {10.17188/1276805},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}