Materials Data on RbLi2(H2N)3 by Materials Project

doi:10.17188/1716365

Title: Materials Data on RbLi2(H2N)3 by Materials Project

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Abstract

RbLi2(NH2)3 crystallizes in the orthorhombic Cmcm space group. The structure is one-dimensional and consists of two RbLi2(NH2)3 ribbons oriented in the (0, 0, 1) direction. Rb1+ is bonded in a 2-coordinate geometry to two equivalent H1+ atoms. Both Rb–H bond lengths are 2.73 Å. Li1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are two shorter (2.08 Å) and two longer (2.14 Å) Li–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a water-like geometry to four equivalent Li1+ and two equivalent H1+ atoms. Both N–H bond lengths are 1.03 Å. In the second N3- site, N3- is bonded to two equivalent Li1+ and two H1+ atoms to form distorted corner-sharing NLi2H2 tetrahedra. There is one shorter (1.02 Å) and one longer (1.03 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 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.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1179724

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:: 1716365

DOI:: https://doi.org/10.17188/1716365

Citation Formats


                    The Materials Project. Materials Data on RbLi2(H2N)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1716365.

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                    The Materials Project. Materials Data on RbLi2(H2N)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1716365

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                    The Materials Project. 2020.  
"Materials Data on RbLi2(H2N)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1716365.  https://www.osti.gov/servlets/purl/1716365. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1716365,

  title        = {Materials Data on RbLi2(H2N)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbLi2(NH2)3 crystallizes in the orthorhombic Cmcm space group. The structure is one-dimensional and consists of two RbLi2(NH2)3 ribbons oriented in the (0, 0, 1) direction. Rb1+ is bonded in a 2-coordinate geometry to two equivalent H1+ atoms. Both Rb–H bond lengths are 2.73 Å. Li1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are two shorter (2.08 Å) and two longer (2.14 Å) Li–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a water-like geometry to four equivalent Li1+ and two equivalent H1+ atoms. Both N–H bond lengths are 1.03 Å. In the second N3- site, N3- is bonded to two equivalent Li1+ and two H1+ atoms to form distorted corner-sharing NLi2H2 tetrahedra. There is one shorter (1.02 Å) and one longer (1.03 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 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          = {10.17188/1716365},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1716365

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