Materials Data on Rb2B10(H5N)5 by Materials Project

doi:10.17188/1752303

Title: Materials Data on Rb2B10(H5N)5 by Materials Project

Dataset
Other Related Research

Abstract

Rb2B2NH5(BH)8(NH3)4 is Ammonia-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of sixteen ammonia molecules; thirty-two boranediylradical molecules; and four Rb2B2NH5 ribbons oriented in the (1, 0, 0) direction. In each Rb2B2NH5 ribbon, Rb1+ is bonded in a 3-coordinate geometry to three H1+ atoms. There are a spread of Rb–H bond distances ranging from 2.94–3.13 Å. There are two inequivalent B+1.20- sites. In the first B+1.20- site, B+1.20- is bonded in a distorted single-bond geometry to one H1+ atom. The B–H bond length is 1.21 Å. In the second B+1.20- site, B+1.20- is bonded in a distorted single-bond geometry to one H1+ atom. The B–H bond length is 1.21 Å. N3- is bonded in a trigonal non-coplanar geometry to three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.03 Å) N–H bond length. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to two equivalent Rb1+ and one B+1.20- 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+more »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-1197795

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; Rb2B10(H5N)5; B-H-N-Rb

OSTI Identifier:: 1752303

DOI:: https://doi.org/10.17188/1752303

Citation Formats


                    The Materials Project. Materials Data on Rb2B10(H5N)5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1752303.

Copy to clipboard


                    The Materials Project. Materials Data on Rb2B10(H5N)5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1752303

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Rb2B10(H5N)5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1752303.  https://www.osti.gov/servlets/purl/1752303. Pub date:Wed Apr 29 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1752303,

  title        = {Materials Data on Rb2B10(H5N)5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb2B2NH5(BH)8(NH3)4 is Ammonia-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of sixteen ammonia molecules; thirty-two boranediylradical molecules; and four Rb2B2NH5 ribbons oriented in the (1, 0, 0) direction. In each Rb2B2NH5 ribbon, Rb1+ is bonded in a 3-coordinate geometry to three H1+ atoms. There are a spread of Rb–H bond distances ranging from 2.94–3.13 Å. There are two inequivalent B+1.20- sites. In the first B+1.20- site, B+1.20- is bonded in a distorted single-bond geometry to one H1+ atom. The B–H bond length is 1.21 Å. In the second B+1.20- site, B+1.20- is bonded in a distorted single-bond geometry to one H1+ atom. The B–H bond length is 1.21 Å. N3- is bonded in a trigonal non-coplanar geometry to three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.03 Å) N–H bond length. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to two equivalent Rb1+ and one B+1.20- 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. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to two equivalent Rb1+ and one B+1.20- atom.},

  doi          = {10.17188/1752303},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1752303

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on CaB2(H5N)2 by Materials Project

Dataset The Materials Project

Ca(NH2BH3)2 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of one Ca(NH2BH3)2 sheet oriented in the (0, 0, 1) direction. Ca2+ is bonded in a 8-coordinate geometry to two equivalent N3- and six H1+ atoms. Both Ca–N bond lengths are 2.47 Å. There are a spread of Ca–H bond distances ranging from 2.35–2.40 Å. B3- is bonded in a tetrahedral geometry to one N3- and three H1+ atoms. The B–N bond length is 1.55 Å. There are a spread of B–H bond distances ranging from 1.23–1.25 Å. N3- is bonded in a 3-coordinate geometry tomore »« less
Materials Data on NaLiB2(H5N)2 by Materials Project

Dataset The Materials Project

NaLiB2(NH5)2 crystallizes in the orthorhombic Pca2_1 space group. The structure is two-dimensional and consists of two NaLiB2(NH5)2 sheets oriented in the (0, 0, 1) direction. Na1+ is bonded in a 7-coordinate geometry to one N3- and six H1+ atoms. The Na–N bond length is 2.39 Å. There are a spread of Na–H bond distances ranging from 2.26–2.53 Å. Li1+ is bonded in a 7-coordinate geometry to one N3- and six H1+ atoms. The Li–N bond length is 2.07 Å. There are a spread of Li–H bond distances ranging from 2.08–2.31 Å. There are two inequivalent B3- sites. In the firstmore »« less
Materials Data on YB3(H5N)6 by Materials Project

Dataset The Materials Project

Y(NH3)6(BH4)3 crystallizes in the cubic P2_13 space group. The structure is zero-dimensional and consists of twelve BH4 clusters and four Y(NH3)6 clusters. In each BH4 cluster, B3- is bonded in a tetrahedral geometry to four H+0.80+ atoms. All B–H bond lengths are 1.23 Å. There are two inequivalent H+0.80+ sites. In the first H+0.80+ site, H+0.80+ is bonded in a single-bond geometry to one B3- atom. In the second H+0.80+ site, H+0.80+ is bonded in a single-bond geometry to one B3- atom. In each Y(NH3)6 cluster, Y3+ is bonded in an octahedral geometry to six N3- atoms. All Y–N bondmore »« less
Materials Data on AlB3(H5N)6 by Materials Project

Dataset The Materials Project

(BH4)3Al(NH3)6 crystallizes in the orthorhombic Pbcn space group. The structure is zero-dimensional and consists of eight Al(NH3)6 clusters and twenty-four BH4 clusters. In each Al(NH3)6 cluster, Al3+ is bonded in an octahedral geometry to six N3- atoms. There are a spread of Al–N bond distances ranging from 2.05–2.07 Å. There are six inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to one Al3+ and three H+0.80+ atoms. All N–H bond lengths are 1.03 Å. In the second N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to one Al3+more »« less
Materials Data on Na2MgB4(H5N)4 by Materials Project

Dataset The Materials Project

Na2Mg(NH2BH3)4 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Na1+ is bonded in a distorted hexagonal planar geometry to six H1+ atoms. There are a spread of Na–H bond distances ranging from 2.36–2.56 Å. Mg2+ is bonded to four equivalent N3- atoms to form MgN4 tetrahedra that share corners with four equivalent BH3N tetrahedra. All Mg–N bond lengths are 2.08 Å. B3- is bonded to one N3- and three H1+ atoms to form BH3N tetrahedra that share a cornercorner with one MgN4 tetrahedra. The B–N bond length is 1.57 Å. There is one shorter (1.23 Å) andmore »« less

Similar Records