Materials Data on GeBi2O5 by Materials Project

doi:10.17188/1199589

Title: Materials Data on GeBi2O5 by Materials Project

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Abstract

Bi2GeO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ge4+ is bonded to five O2- atoms to form distorted corner-sharing GeO5 trigonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.75–2.03 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.27–2.76 Å. In the second Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.19–2.88 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ge4+ and two Bi3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Ge4+ and two equivalent Bi3+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Ge4+ and three Bi3+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Ge4+ and three Bi3+ atoms. In the fifth O2- site, O2- is bonded to four Bi3+ atoms to form amore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-23553

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; GeBi2O5; Bi-Ge-O

OSTI Identifier:: 1199589

DOI:: https://doi.org/10.17188/1199589

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                    The Materials Project. Materials Data on GeBi2O5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199589.

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                    The Materials Project. Materials Data on GeBi2O5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199589

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                    The Materials Project. 2020.  
"Materials Data on GeBi2O5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199589.  https://www.osti.gov/servlets/purl/1199589. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1199589,

  title        = {Materials Data on GeBi2O5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Bi2GeO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ge4+ is bonded to five O2- atoms to form distorted corner-sharing GeO5 trigonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.75–2.03 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.27–2.76 Å. In the second Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.19–2.88 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ge4+ and two Bi3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Ge4+ and two equivalent Bi3+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Ge4+ and three Bi3+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Ge4+ and three Bi3+ atoms. In the fifth O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of distorted corner and edge-sharing OBi4 tetrahedra.},

  doi          = {10.17188/1199589},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1199589

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