Materials Data on LiH2ClO by Materials Project

doi:10.17188/1291657

Title: Materials Data on LiH2ClO by Materials Project

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Abstract

LiClH2O crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to two equivalent O2- and four equivalent Cl1- atoms to form distorted edge-sharing LiCl4O2 octahedra. Both Li–O bond lengths are 2.05 Å. All Li–Cl bond lengths are 2.69 Å. In the second Li1+ site, Li1+ is bonded in a 2-coordinate geometry to two equivalent O2- and four equivalent Cl1- atoms. Both Li–O bond lengths are 2.03 Å. There are two shorter (2.56 Å) and two longer (2.95 Å) Li–Cl bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. O2- is bonded to two Li1+ and two equivalent H1+ atoms to form distorted corner-sharing OLi2H2 tetrahedra. Cl1- is bonded in a 4-coordinate geometry to four Li1+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-760502

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; LiH2ClO; Cl-H-Li-O

OSTI Identifier:: 1291657

DOI:: https://doi.org/10.17188/1291657

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                    The Materials Project. Materials Data on LiH2ClO by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1291657.

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                    The Materials Project. Materials Data on LiH2ClO by Materials Project.  United States.  doi:https://doi.org/10.17188/1291657

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                    The Materials Project. 2020.  
"Materials Data on LiH2ClO by Materials Project".  United States.  doi:https://doi.org/10.17188/1291657.  https://www.osti.gov/servlets/purl/1291657. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1291657,

  title        = {Materials Data on LiH2ClO by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiClH2O crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to two equivalent O2- and four equivalent Cl1- atoms to form distorted edge-sharing LiCl4O2 octahedra. Both Li–O bond lengths are 2.05 Å. All Li–Cl bond lengths are 2.69 Å. In the second Li1+ site, Li1+ is bonded in a 2-coordinate geometry to two equivalent O2- and four equivalent Cl1- atoms. Both Li–O bond lengths are 2.03 Å. There are two shorter (2.56 Å) and two longer (2.95 Å) Li–Cl bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. O2- is bonded to two Li1+ and two equivalent H1+ atoms to form distorted corner-sharing OLi2H2 tetrahedra. Cl1- is bonded in a 4-coordinate geometry to four Li1+ atoms.},

  doi          = {10.17188/1291657},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

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

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

}

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DOI: https://doi.org/10.17188/1291657

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