Materials Data on CdGe(BiO3)2 by Materials Project

doi:10.17188/1268587

Title: Materials Data on CdGe(BiO3)2 by Materials Project

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Abstract

CdGe(BiO3)2 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Cd2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cd–O bond distances ranging from 2.23–2.62 Å. Ge4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.78 Å) and two longer (1.79 Å) Ge–O bond length. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.18–2.91 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Ge4+ and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Cd2+, one Ge4+, and two equivalent Bi3+ atoms. In the third O2- site, O2- is bonded to two equivalent Cd2+ and two equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing OCd2Bi2 tetrahedra.

Authors:: The Materials Project

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

Other Number(s):: mp-555027

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; CdGe(BiO3)2; Bi-Cd-Ge-O

OSTI Identifier:: 1268587

DOI:: https://doi.org/10.17188/1268587

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                    The Materials Project. Materials Data on CdGe(BiO3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1268587.

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                    The Materials Project. Materials Data on CdGe(BiO3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1268587

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                    The Materials Project. 2020.  
"Materials Data on CdGe(BiO3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1268587.  https://www.osti.gov/servlets/purl/1268587. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1268587,

  title        = {Materials Data on CdGe(BiO3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CdGe(BiO3)2 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Cd2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cd–O bond distances ranging from 2.23–2.62 Å. Ge4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.78 Å) and two longer (1.79 Å) Ge–O bond length. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.18–2.91 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Ge4+ and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Cd2+, one Ge4+, and two equivalent Bi3+ atoms. In the third O2- site, O2- is bonded to two equivalent Cd2+ and two equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing OCd2Bi2 tetrahedra.},

  doi          = {10.17188/1268587},

  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/10.17188/1268587

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