Materials Data on Li2BiO3 by Materials Project

doi:10.17188/1290031

Title: Materials Data on Li2BiO3 by Materials Project

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Abstract

Li2BiO3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Li is bonded to four O atoms to form LiO4 tetrahedra that share corners with five equivalent BiO4 tetrahedra and corners with seven equivalent LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 2.00–2.14 Å. Bi is bonded to four O atoms to form BiO4 tetrahedra that share corners with two equivalent BiO4 tetrahedra and corners with ten equivalent LiO4 tetrahedra. There are a spread of Bi–O bond distances ranging from 2.09–2.26 Å. There are two inequivalent O sites. In the first O site, O is bonded to three equivalent Li and one Bi atom to form corner-sharing OLi3Bi tetrahedra. In the second O site, O is bonded to two equivalent Li and two equivalent Bi atoms to form corner-sharing OLi2Bi2 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-755487

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; Li2BiO3; Bi-Li-O

OSTI Identifier:: 1290031

DOI:: https://doi.org/10.17188/1290031

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                    The Materials Project. Materials Data on Li2BiO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1290031.

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                    The Materials Project. Materials Data on Li2BiO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1290031

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                    The Materials Project. 2020.  
"Materials Data on Li2BiO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1290031.  https://www.osti.gov/servlets/purl/1290031. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1290031,

  title        = {Materials Data on Li2BiO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li2BiO3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Li is bonded to four O atoms to form LiO4 tetrahedra that share corners with five equivalent BiO4 tetrahedra and corners with seven equivalent LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 2.00–2.14 Å. Bi is bonded to four O atoms to form BiO4 tetrahedra that share corners with two equivalent BiO4 tetrahedra and corners with ten equivalent LiO4 tetrahedra. There are a spread of Bi–O bond distances ranging from 2.09–2.26 Å. There are two inequivalent O sites. In the first O site, O is bonded to three equivalent Li and one Bi atom to form corner-sharing OLi3Bi tetrahedra. In the second O site, O is bonded to two equivalent Li and two equivalent Bi atoms to form corner-sharing OLi2Bi2 tetrahedra.},

  doi          = {10.17188/1290031},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1290031

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