Materials Data on Li(SeO3)2 by Materials Project

doi:10.17188/1717244

Title: Materials Data on Li(SeO3)2 by Materials Project

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Abstract

Li(SeO3)2 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Li is bonded to four O atoms to form LiO4 tetrahedra that share corners with five SeO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.97–2.14 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded to four O atoms to form SeO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra and corners with two equivalent SeO4 tetrahedra. There are a spread of Se–O bond distances ranging from 1.64–1.84 Å. In the second Se site, Se is bonded to four O atoms to form distorted SeO4 tetrahedra that share corners with two equivalent SeO4 tetrahedra and corners with three equivalent LiO4 tetrahedra. There are a spread of Se–O bond distances ranging from 1.65–2.44 Å. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Se atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Li and one Se atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to two Se atoms. In the fourthmore »« less

Authors:: The Materials Project

Publication Date:: Fri Jan 11 00:00:00 EST 2019

Other Number(s):: mp-1188173

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; Li(SeO3)2; Li-O-Se

OSTI Identifier:: 1717244

DOI:: https://doi.org/10.17188/1717244

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                    The Materials Project. Materials Data on Li(SeO3)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1717244.

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                    The Materials Project. Materials Data on Li(SeO3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1717244

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                    The Materials Project. 2019.  
"Materials Data on Li(SeO3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1717244.  https://www.osti.gov/servlets/purl/1717244. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1717244,

  title        = {Materials Data on Li(SeO3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li(SeO3)2 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Li is bonded to four O atoms to form LiO4 tetrahedra that share corners with five SeO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.97–2.14 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded to four O atoms to form SeO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra and corners with two equivalent SeO4 tetrahedra. There are a spread of Se–O bond distances ranging from 1.64–1.84 Å. In the second Se site, Se is bonded to four O atoms to form distorted SeO4 tetrahedra that share corners with two equivalent SeO4 tetrahedra and corners with three equivalent LiO4 tetrahedra. There are a spread of Se–O bond distances ranging from 1.65–2.44 Å. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Se atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Li and one Se atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to two Se atoms. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Li and one Se atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Li and one Se atom. In the sixth O site, O is bonded in a trigonal planar geometry to one Li and two Se atoms.},

  doi          = {10.17188/1717244},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jan 11 00:00:00 EST 2019},

  month        = {Fri Jan 11 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1717244

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