Materials Data on GePb5O7 by Materials Project

doi:10.17188/1277050

Title: Materials Data on GePb5O7 by Materials Project

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Abstract

Pb5GeO7 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are five inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.28–2.94 Å. In the second Pb2+ site, Pb2+ is bonded to four O2- atoms to form distorted PbO4 trigonal pyramids that share corners with two equivalent GeO4 tetrahedra. There are a spread of Pb–O bond distances ranging from 2.29–2.64 Å. In the third Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.31–3.18 Å. In the fourth Pb2+ site, Pb2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.24–2.80 Å. In the fifth Pb2+ site, Pb2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.24–2.93 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent PbO4 trigonal pyramids. There are a spread of Ge–O bond distancesmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-583345

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; GePb5O7; Ge-O-Pb

OSTI Identifier:: 1277050

DOI:: https://doi.org/10.17188/1277050

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                    The Materials Project. Materials Data on GePb5O7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1277050.

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                    The Materials Project. Materials Data on GePb5O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1277050

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                    The Materials Project. 2020.  
"Materials Data on GePb5O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1277050.  https://www.osti.gov/servlets/purl/1277050. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1277050,

  title        = {Materials Data on GePb5O7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pb5GeO7 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are five inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.28–2.94 Å. In the second Pb2+ site, Pb2+ is bonded to four O2- atoms to form distorted PbO4 trigonal pyramids that share corners with two equivalent GeO4 tetrahedra. There are a spread of Pb–O bond distances ranging from 2.29–2.64 Å. In the third Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.31–3.18 Å. In the fourth Pb2+ site, Pb2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.24–2.80 Å. In the fifth Pb2+ site, Pb2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.24–2.93 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent PbO4 trigonal pyramids. There are a spread of Ge–O bond distances ranging from 1.77–1.80 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three Pb2+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two Pb2+ and one Ge4+ atom. In the third O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of distorted edge and corner-sharing OPb4 tetrahedra. In the fourth O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of edge and corner-sharing OPb4 tetrahedra. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three Pb2+ and one Ge4+ atom. In the sixth O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of distorted edge and corner-sharing OPb4 tetrahedra. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to two Pb2+ and one Ge4+ atom.},

  doi          = {10.17188/1277050},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1277050

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