U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on RbLi2(H2N)3 by Materials Project
Abstract
RbLi2(NH2)3 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one RbLi2(NH2)3 ribbon oriented in the (1, 0, 0) direction. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 2-coordinate geometry to two H1+ atoms. There are one shorter (2.79 Å) and one longer (2.80 Å) Rb–H bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 2-coordinate geometry to two H1+ atoms. There are one shorter (2.74 Å) and one longer (2.77 Å) Rb–H bond lengths. There are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four N3- and one H1+ atom. There are a spread of Li–N bond distances ranging from 2.06–2.17 Å. The Li–H bond length is 2.21 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four N3- and one H1+ atom. There are a spread of Li–N bond distances ranging from 2.06–2.17 Å. The Li–H bond length is 2.21 Å. In the third Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four N3- and two H1+ atoms. There are a spread of Li–N bond distancesmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-722455
- 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; RbLi2(H2N)3; H-Li-N-Rb
- OSTI Identifier:
- 1287477
- DOI:
- https://doi.org/10.17188/1287477
Citation Formats
The Materials Project. Materials Data on RbLi2(H2N)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1287477.
The Materials Project. Materials Data on RbLi2(H2N)3 by Materials Project. United States. doi:https://doi.org/10.17188/1287477
The Materials Project. 2020.
"Materials Data on RbLi2(H2N)3 by Materials Project". United States. doi:https://doi.org/10.17188/1287477. https://www.osti.gov/servlets/purl/1287477. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1287477,
title = {Materials Data on RbLi2(H2N)3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbLi2(NH2)3 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one RbLi2(NH2)3 ribbon oriented in the (1, 0, 0) direction. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 2-coordinate geometry to two H1+ atoms. There are one shorter (2.79 Å) and one longer (2.80 Å) Rb–H bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 2-coordinate geometry to two H1+ atoms. There are one shorter (2.74 Å) and one longer (2.77 Å) Rb–H bond lengths. There are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four N3- and one H1+ atom. There are a spread of Li–N bond distances ranging from 2.06–2.17 Å. The Li–H bond length is 2.21 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four N3- and one H1+ atom. There are a spread of Li–N bond distances ranging from 2.06–2.17 Å. The Li–H bond length is 2.21 Å. In the third Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four N3- and two H1+ atoms. There are a spread of Li–N bond distances ranging from 2.06–2.15 Å. There are one shorter (2.20 Å) and one longer (2.28 Å) Li–H bond lengths. In the fourth Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Li–N bond distances ranging from 2.05–2.16 Å. There are six inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted water-like geometry to four Li1+ and two H1+ atoms. Both N–H bond lengths are 1.03 Å. In the second N3- site, N3- is bonded in a distorted water-like geometry to four Li1+ and two H1+ atoms. Both N–H bond lengths are 1.03 Å. In the third N3- site, N3- is bonded to two Li1+ and two H1+ atoms to form distorted corner-sharing NLi2H2 tetrahedra. Both N–H bond lengths are 1.03 Å. In the fourth N3- site, N3- is bonded to two Li1+ and two H1+ atoms to form distorted corner-sharing NLi2H2 tetrahedra. Both N–H bond lengths are 1.03 Å. In the fifth N3- site, N3- is bonded in a distorted tetrahedral geometry to two Li1+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. In the sixth N3- site, N3- is bonded in a 2-coordinate geometry to two Li1+ and two H1+ atoms. Both N–H bond lengths are 1.03 Å. There are twelve inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one Li1+ and one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one Li1+ and one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to two Li1+ and one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one Rb1+ and one N3- atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one Rb1+ and one N3- atom. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one Rb1+ and one N3- atom. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one Rb1+ and one N3- atom.},
doi = {10.17188/1287477},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}
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