Materials Data on LiB3H8 by Materials Project

doi:10.17188/1674584

Title: Materials Data on LiB3H8 by Materials Project

Dataset
Other Related Research

Abstract

LiB3H8 crystallizes in the orthorhombic Ama2 space group. The structure is one-dimensional and consists of four LiB3H8 ribbons oriented in the (0, 0, 1) direction. Li1+ is bonded in a 4-coordinate geometry to four H1+ atoms. All Li–H bond lengths are 2.02 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 4-coordinate geometry to four H1+ atoms. There is two shorter (1.21 Å) and two longer (1.44 Å) B–H bond length. In the second B3- site, B3- is bonded in a distorted trigonal non-coplanar geometry to three H1+ atoms. There is two shorter (1.22 Å) and one longer (1.26 Å) B–H bond length. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one B3- atom. In the second H1+ site, H1+ is bonded in an L-shaped geometry to one Li1+ and one B3- atom. In the third H1+ site, H1+ is bonded in an L-shaped geometry to one Li1+ and one B3- atom. In the fourth H1+ site, H1+ is bonded in an L-shaped geometry to two B3- atoms.

Publication Date:: 2020-04-30

Other Number(s):: mp-1211100

DOE Contract Number:: AC02-05CH11231;

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; B-H-Li; crystal structure; LiB3H8

OSTI Identifier:: 1674584

DOI:: https://doi.org/10.17188/1674584

Citation Formats


                    Materials Data on LiB3H8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1674584.

Copy to clipboard


                    Materials Data on LiB3H8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1674584

Copy to clipboard


                    2020.  
"Materials Data on LiB3H8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1674584.  https://www.osti.gov/servlets/purl/1674584. Pub date:Thu Apr 30 20:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1674584,

  title        = {Materials Data on LiB3H8 by Materials Project},

  
  abstractNote = {LiB3H8 crystallizes in the orthorhombic Ama2 space group. The structure is one-dimensional and consists of four LiB3H8 ribbons oriented in the (0, 0, 1) direction. Li1+ is bonded in a 4-coordinate geometry to four H1+ atoms. All Li–H bond lengths are 2.02 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 4-coordinate geometry to four H1+ atoms. There is two shorter (1.21 Å) and two longer (1.44 Å) B–H bond length. In the second B3- site, B3- is bonded in a distorted trigonal non-coplanar geometry to three H1+ atoms. There is two shorter (1.22 Å) and one longer (1.26 Å) B–H bond length. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one B3- atom. In the second H1+ site, H1+ is bonded in an L-shaped geometry to one Li1+ and one B3- atom. In the third H1+ site, H1+ is bonded in an L-shaped geometry to one Li1+ and one B3- atom. In the fourth H1+ site, H1+ is bonded in an L-shaped geometry to two B3- atoms.},

  doi          = {10.17188/1674584},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1674584

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on As by Materials Project

Dataset

As is black P structured and crystallizes in the orthorhombic Cmce space group. The structure is two-dimensional and consists of two As sheets oriented in the (0, 1, 0) direction. As is bonded in a distorted trigonal non-coplanar geometry to three equivalent As atoms. All As–As bond lengths are 2.51 Å.
Materials Data on As by Materials Project

Dataset

As is alpha As structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three As sheets oriented in the (0, 0, 1) direction. As is bonded in a 3-coordinate geometry to three equivalent As atoms. All As–As bond lengths are 2.56 Å.
Materials Data on Be by Materials Project

Dataset

Be is Tungsten structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Be is bonded in a body-centered cubic geometry to eight equivalent Be atoms. All Be–Be bond lengths are 2.17 Å.
Materials Data on Be by Materials Project

Dataset

Be is beta Np structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Be is bonded in a 11-coordinate geometry to eleven equivalent Be atoms. There are a spread of Be–Be bond distances ranging from 2.14–2.28 Å.
Materials Data on NO by Materials Project

Dataset

NO is alpha carbon monoxide-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four nitroxyl molecules. N is bonded in a single-bond geometry to one O atom. The N–O bond length is 1.17 Å. O is bonded in a single-bond geometry to one N atom.

Similar Records