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Title: Materials Data on Rb4Ge9(H3N)5 by Materials Project

Abstract

Rb4(NH3)5(Ge)9 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of thirty-six germanium molecules and two Rb4(NH3)5 sheets oriented in the (0, 0, 1) direction. In each Rb4(NH3)5 sheet, there are four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to four N3- and three H+0.47- atoms. There are a spread of Rb–N bond distances ranging from 3.09–3.41 Å. There are a spread of Rb–H bond distances ranging from 3.07–3.28 Å. In the second Rb1+ site, Rb1+ is bonded in a bent 150 degrees geometry to one N3- and one H+0.47- atom. The Rb–N bond length is 2.98 Å. The Rb–H bond length is 3.01 Å. In the third Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to three N3- and four H+0.47- atoms. There are one shorter (3.18 Å) and two longer (3.25 Å) Rb–N bond lengths. There are a spread of Rb–H bond distances ranging from 3.04–3.24 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to one N3- and two H+0.47- atoms. The Rb–N bond length is 3.13 Å. There are one shorter (2.90 Å) and one longer (3.05 Å) Rb–Hmore » bond lengths. There are five inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal non-coplanar geometry to two Rb1+ and three H+0.47- atoms. All N–H bond lengths are 1.03 Å. In the second N3- site, N3- is bonded in a trigonal non-coplanar geometry to one Rb1+ and three H+0.47- atoms. All N–H bond lengths are 1.03 Å. In the third N3- site, N3- is bonded in a trigonal non-coplanar geometry to one Rb1+ and three H+0.47- atoms. There is one shorter (1.02 Å) and two longer (1.03 Å) N–H bond length. In the fourth N3- site, N3- is bonded in a trigonal non-coplanar geometry to two Rb1+ and three H+0.47- atoms. All N–H bond lengths are 1.03 Å. In the fifth N3- site, N3- is bonded in a trigonal non-coplanar geometry to three Rb1+ and three H+0.47- atoms. There is one shorter (1.02 Å) and two longer (1.03 Å) N–H bond length. There are fifteen inequivalent H+0.47- sites. In the first H+0.47- site, H+0.47- is bonded in a single-bond geometry to one Rb1+ and one N3- atom. In the second H+0.47- site, H+0.47- is bonded in a single-bond geometry to one N3- atom. In the third H+0.47- site, H+0.47- is bonded in a single-bond geometry to one Rb1+ and one N3- atom. In the fourth H+0.47- site, H+0.47- is bonded in a single-bond geometry to one N3- atom. In the fifth H+0.47- site, H+0.47- is bonded in a single-bond geometry to one Rb1+ and one N3- atom. In the sixth H+0.47- site, H+0.47- is bonded in a single-bond geometry to one Rb1+ and one N3- atom. In the seventh H+0.47- site, H+0.47- is bonded in a single-bond geometry to one N3- atom. In the eighth H+0.47- site, H+0.47- is bonded in a single-bond geometry to one Rb1+ and one N3- atom. In the ninth H+0.47- site, H+0.47- is bonded in a single-bond geometry to two Rb1+ and one N3- atom. In the tenth H+0.47- site, H+0.47- is bonded in a single-bond geometry to one N3- atom. In the eleventh H+0.47- site, H+0.47- is bonded in a single-bond geometry to one Rb1+ and one N3- atom. In the twelfth H+0.47- site, H+0.47- is bonded in a single-bond geometry to one N3- atom. In the thirteenth H+0.47- site, H+0.47- is bonded in a single-bond geometry to one N3- atom. In the fourteenth H+0.47- site, H+0.47- is bonded in a single-bond geometry to one Rb1+ and one N3- atom. In the fifteenth H+0.47- site, H+0.47- is bonded in a single-bond geometry to one Rb1+ and one N3- atom.« less

Publication Date:
Other Number(s):
mp-759330
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; Rb4Ge9(H3N)5; Ge-H-N-Rb
OSTI Identifier:
1291391
DOI:
10.17188/1291391

Citation Formats

The Materials Project. Materials Data on Rb4Ge9(H3N)5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1291391.
The Materials Project. Materials Data on Rb4Ge9(H3N)5 by Materials Project. United States. doi:10.17188/1291391.
The Materials Project. 2020. "Materials Data on Rb4Ge9(H3N)5 by Materials Project". United States. doi:10.17188/1291391. https://www.osti.gov/servlets/purl/1291391. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1291391,
title = {Materials Data on Rb4Ge9(H3N)5 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb4(NH3)5(Ge)9 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of thirty-six germanium molecules and two Rb4(NH3)5 sheets oriented in the (0, 0, 1) direction. In each Rb4(NH3)5 sheet, there are four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to four N3- and three H+0.47- atoms. There are a spread of Rb–N bond distances ranging from 3.09–3.41 Å. There are a spread of Rb–H bond distances ranging from 3.07–3.28 Å. In the second Rb1+ site, Rb1+ is bonded in a bent 150 degrees geometry to one N3- and one H+0.47- atom. The Rb–N bond length is 2.98 Å. The Rb–H bond length is 3.01 Å. In the third Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to three N3- and four H+0.47- atoms. There are one shorter (3.18 Å) and two longer (3.25 Å) Rb–N bond lengths. There are a spread of Rb–H bond distances ranging from 3.04–3.24 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to one N3- and two H+0.47- atoms. The Rb–N bond length is 3.13 Å. There are one shorter (2.90 Å) and one longer (3.05 Å) Rb–H bond lengths. There are five inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal non-coplanar geometry to two Rb1+ and three H+0.47- atoms. All N–H bond lengths are 1.03 Å. In the second N3- site, N3- is bonded in a trigonal non-coplanar geometry to one Rb1+ and three H+0.47- atoms. All N–H bond lengths are 1.03 Å. In the third N3- site, N3- is bonded in a trigonal non-coplanar geometry to one Rb1+ and three H+0.47- atoms. There is one shorter (1.02 Å) and two longer (1.03 Å) N–H bond length. In the fourth N3- site, N3- is bonded in a trigonal non-coplanar geometry to two Rb1+ and three H+0.47- atoms. All N–H bond lengths are 1.03 Å. In the fifth N3- site, N3- is bonded in a trigonal non-coplanar geometry to three Rb1+ and three H+0.47- atoms. There is one shorter (1.02 Å) and two longer (1.03 Å) N–H bond length. There are fifteen inequivalent H+0.47- sites. In the first H+0.47- site, H+0.47- is bonded in a single-bond geometry to one Rb1+ and one N3- atom. In the second H+0.47- site, H+0.47- is bonded in a single-bond geometry to one N3- atom. In the third H+0.47- site, H+0.47- is bonded in a single-bond geometry to one Rb1+ and one N3- atom. In the fourth H+0.47- site, H+0.47- is bonded in a single-bond geometry to one N3- atom. In the fifth H+0.47- site, H+0.47- is bonded in a single-bond geometry to one Rb1+ and one N3- atom. In the sixth H+0.47- site, H+0.47- is bonded in a single-bond geometry to one Rb1+ and one N3- atom. In the seventh H+0.47- site, H+0.47- is bonded in a single-bond geometry to one N3- atom. In the eighth H+0.47- site, H+0.47- is bonded in a single-bond geometry to one Rb1+ and one N3- atom. In the ninth H+0.47- site, H+0.47- is bonded in a single-bond geometry to two Rb1+ and one N3- atom. In the tenth H+0.47- site, H+0.47- is bonded in a single-bond geometry to one N3- atom. In the eleventh H+0.47- site, H+0.47- is bonded in a single-bond geometry to one Rb1+ and one N3- atom. In the twelfth H+0.47- site, H+0.47- is bonded in a single-bond geometry to one N3- atom. In the thirteenth H+0.47- site, H+0.47- is bonded in a single-bond geometry to one N3- atom. In the fourteenth H+0.47- site, H+0.47- is bonded in a single-bond geometry to one Rb1+ and one N3- atom. In the fifteenth H+0.47- site, H+0.47- is bonded in a single-bond geometry to one Rb1+ and one N3- atom.},
doi = {10.17188/1291391},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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