Materials Data on LiH by Materials Project

doi:10.17188/1199672

Title: Materials Data on LiH by Materials Project

Full Record
Other Related Research

Abstract

LiH is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent H1- atoms to form a mixture of edge and corner-sharing LiH6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Li–H bond lengths are 2.00 Å. H1- is bonded to six equivalent Li1+ atoms to form a mixture of edge and corner-sharing HLi6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

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)

Contributing Org.:: MIT; UC Berkeley; Duke; U Louvain

OSTI Identifier:: 1199672

Report Number(s):: mp-23703

DOE Contract Number:: AC02-05CH11231; EDCBEE

Resource Type:: Data

Resource Relation:: Related Information: https://materialsproject.org/citing

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; crystal structure; LiH; H-Li

Citation Formats


                    The Materials Project. Materials Data on LiH by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199672.

Copy to clipboard


                    The Materials Project. Materials Data on LiH by Materials Project.  United States.  https://doi.org/10.17188/1199672

Copy to clipboard


                    The Materials Project. 2020.  
        "Materials Data on LiH by Materials Project".  United States.  https://doi.org/10.17188/1199672.  https://www.osti.gov/servlets/purl/1199672.

Copy to clipboard


                    
@article{osti_1199672,

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

  author       = {The Materials Project},

  abstractNote = {LiH is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent H1- atoms to form a mixture of edge and corner-sharing LiH6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Li–H bond lengths are 2.00 Å. H1- is bonded to six equivalent Li1+ atoms to form a mixture of edge and corner-sharing HLi6 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1199672},

  url          = {https://www.osti.gov/biblio/1199672},
  journal      = {},
number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

https://doi.org/10.17188/1199672

Save / Share:

Export Metadata

Save to My Library

Similar records in OSTI.GOV collections:

Materials Data on K2LiAlH6 by Materials Project

Dataset

K2LiAlH6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent H1- atoms to form KH12 cuboctahedra that share corners with twelve equivalent KH12 cuboctahedra, faces with six equivalent KH12 cuboctahedra, faces with four equivalent LiH6 octahedra, and faces with four equivalent AlH6 octahedra. All K–H bond lengths are 2.77 Å. Li1+ is bonded to six equivalent H1- atoms to form LiH6 octahedra that share corners with six equivalent AlH6 octahedra and faces with eight equivalent KH12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–H bondmore »« less
https://doi.org/10.17188/1184000

View Dataset
Materials Data on Na2LiAlH6 by Materials Project

Dataset

Na2LiAlH6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent H1- atoms to form NaH12 cuboctahedra that share corners with twelve equivalent NaH12 cuboctahedra, faces with six equivalent NaH12 cuboctahedra, faces with four equivalent LiH6 octahedra, and faces with four equivalent AlH6 octahedra. All Na–H bond lengths are 2.60 Å. Li1+ is bonded to six equivalent H1- atoms to form LiH6 octahedra that share corners with six equivalent AlH6 octahedra and faces with eight equivalent NaH12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–H bondmore »« less
https://doi.org/10.17188/1280394

View Dataset
Materials Data on LiMg10AlH24 by Materials Project

Dataset

LiAlMg10H24 is Hydrophilite-derived structured and crystallizes in the monoclinic P2 space group. The structure is three-dimensional. Li1+ is bonded to six H1- atoms to form LiH6 octahedra that share corners with eight MgH6 octahedra, an edgeedge with one MgH6 octahedra, and an edgeedge with one AlH6 octahedra. The corner-sharing octahedra tilt angles range from 47–64°. There are a spread of Li–H bond distances ranging from 1.91–2.15 Å. There are seven inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six H1- atoms to form a mixture of corner and edge-sharing MgH6 octahedra. The corner-sharing octahedra tilt anglesmore »« less
https://doi.org/10.17188/1272855

View Dataset
Materials Data on LiBeH3 by Materials Project

Dataset

LiBeH3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 6-coordinate geometry to seven H1- atoms. There are a spread of Li–H bond distances ranging from 1.92–2.28 Å. In the second Li1+ site, Li1+ is bonded to six H1- atoms to form distorted LiH6 octahedra that share corners with five BeH4 tetrahedra and an edgeedge with one BeH4 tetrahedra. There are a spread of Li–H bond distances ranging from 1.90–2.14 Å. In the third Li1+ site, Li1+ is bonded in a 5-coordinatemore »« less
https://doi.org/10.17188/1200243

View Dataset
Materials Data on LiBeH3 by Materials Project

Dataset

LiBeH3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five H1- atoms. There are a spread of Li–H bond distances ranging from 1.88–2.05 Å. In the second Li1+ site, Li1+ is bonded in a 7-coordinate geometry to seven H1- atoms. There are a spread of Li–H bond distances ranging from 1.92–2.27 Å. In the third Li1+ site, Li1+ is bonded to six H1- atoms to form distorted LiH6 octahedra that share corners with five BeH4 tetrahedra and anmore »« less
https://doi.org/10.17188/1275586

View Dataset

Similar Records