Materials Data on LiZnIO4 by Materials Project

doi:10.17188/1677222

Title: Materials Data on LiZnIO4 by Materials Project

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Abstract

LiZnO4I crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. Li1+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 2.06–2.17 Å. Zn2+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are two shorter (1.99 Å) and two longer (2.05 Å) Zn–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+, two equivalent Zn2+, and one I5+ atom to form corner-sharing OLiZn2I tetrahedra. The O–I bond length is 2.02 Å. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two equivalent Zn2+, and one I5+ atom. The O–I bond length is 2.20 Å. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+ and two equivalent I5+ atoms. There are one shorter (1.83 Å) and one longer (2.74 Å) O–I bond lengths. I5+ is bonded in a 6-coordinate geometry to six O2- atoms.

Authors:: The Materials Project

Publication Date:: 2018-07-18

Other Number(s):: mp-1104352

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; LiZnIO4; I-Li-O-Zn

OSTI Identifier:: 1677222

DOI:: https://doi.org/10.17188/1677222

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                    The Materials Project. Materials Data on LiZnIO4 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1677222.

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                    The Materials Project. Materials Data on LiZnIO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1677222

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                    The Materials Project. 2018.  
"Materials Data on LiZnIO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1677222.  https://www.osti.gov/servlets/purl/1677222. Pub date:Wed Jul 18 00:00:00 EDT 2018

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@article{osti_1677222,

  title        = {Materials Data on LiZnIO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiZnO4I crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. Li1+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 2.06–2.17 Å. Zn2+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are two shorter (1.99 Å) and two longer (2.05 Å) Zn–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+, two equivalent Zn2+, and one I5+ atom to form corner-sharing OLiZn2I tetrahedra. The O–I bond length is 2.02 Å. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two equivalent Zn2+, and one I5+ atom. The O–I bond length is 2.20 Å. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+ and two equivalent I5+ atoms. There are one shorter (1.83 Å) and one longer (2.74 Å) O–I bond lengths. I5+ is bonded in a 6-coordinate geometry to six O2- atoms.},

  doi          = {10.17188/1677222},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1677222

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