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Title: Materials Data on Rb2Sn2H3N by Materials Project

Abstract

Rb2NH3(Sn)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of sixteen 7440-31-5 molecules and eight Rb2NH3 clusters. In four of the Rb2NH3 clusters, there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to one N3- and two H1- atoms. The Rb–N bond length is 3.18 Å. There are one shorter (3.13 Å) and one longer (3.15 Å) Rb–H bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to one N3- atom. The Rb–N bond length is 3.05 Å. N3- is bonded in a trigonal non-coplanar geometry to two Rb1+ and three H1- atoms. There is two shorter (1.03 Å) and one longer (1.04 Å) N–H bond length. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a single-bond geometry to one Rb1+ and one N3- atom. In the second H1- site, H1- is bonded in a single-bond geometry to one Rb1+ and one N3- atom. In the third H1- site, H1- is bonded in a single-bond geometry to one N3- atom. In four of the Rb2NH3 clusters, there are two inequivalent Rb1+ sites. In themore » first Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to one N3- and one H1- atom. The Rb–N bond length is 3.37 Å. The Rb–H bond length is 3.22 Å. In the second Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to one N3- and one H1- atom. The Rb–N bond length is 3.08 Å. The Rb–H bond length is 3.11 Å. N3- is bonded in a trigonal non-coplanar geometry to two Rb1+ and three H1- atoms. All N–H bond lengths are 1.03 Å. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a single-bond geometry to one Rb1+ and one N3- atom. In the second H1- site, H1- is bonded in a single-bond geometry to one N3- atom. In the third H1- site, H1- is bonded in a single-bond geometry to one Rb1+ and one N3- atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1201043
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; Rb2Sn2H3N; H-N-Rb-Sn
OSTI Identifier:
1667326
DOI:
https://doi.org/10.17188/1667326

Citation Formats

The Materials Project. Materials Data on Rb2Sn2H3N by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1667326.
The Materials Project. Materials Data on Rb2Sn2H3N by Materials Project. United States. doi:https://doi.org/10.17188/1667326
The Materials Project. 2020. "Materials Data on Rb2Sn2H3N by Materials Project". United States. doi:https://doi.org/10.17188/1667326. https://www.osti.gov/servlets/purl/1667326. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1667326,
title = {Materials Data on Rb2Sn2H3N by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2NH3(Sn)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of sixteen 7440-31-5 molecules and eight Rb2NH3 clusters. In four of the Rb2NH3 clusters, there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to one N3- and two H1- atoms. The Rb–N bond length is 3.18 Å. There are one shorter (3.13 Å) and one longer (3.15 Å) Rb–H bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to one N3- atom. The Rb–N bond length is 3.05 Å. N3- is bonded in a trigonal non-coplanar geometry to two Rb1+ and three H1- atoms. There is two shorter (1.03 Å) and one longer (1.04 Å) N–H bond length. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a single-bond geometry to one Rb1+ and one N3- atom. In the second H1- site, H1- is bonded in a single-bond geometry to one Rb1+ and one N3- atom. In the third H1- site, H1- is bonded in a single-bond geometry to one N3- atom. In four of the Rb2NH3 clusters, there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to one N3- and one H1- atom. The Rb–N bond length is 3.37 Å. The Rb–H bond length is 3.22 Å. In the second Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to one N3- and one H1- atom. The Rb–N bond length is 3.08 Å. The Rb–H bond length is 3.11 Å. N3- is bonded in a trigonal non-coplanar geometry to two Rb1+ and three H1- atoms. All N–H bond lengths are 1.03 Å. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a single-bond geometry to one Rb1+ and one N3- atom. In the second H1- site, H1- is bonded in a single-bond geometry to one N3- atom. In the third H1- site, H1- is bonded in a single-bond geometry to one Rb1+ and one N3- atom.},
doi = {10.17188/1667326},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}