Materials Data on TaPbF7 by Materials Project

doi:10.17188/1269723

Title: Materials Data on TaPbF7 by Materials Project

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Abstract

PbTaF7 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ta5+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Ta–F bond distances ranging from 1.93–2.04 Å. Pb2+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Pb–F bond distances ranging from 2.51–2.73 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ta5+ and one Pb2+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Ta5+ and one Pb2+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Ta5+ and two equivalent Pb2+ atoms. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to one Ta5+ and one Pb2+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one Ta5+ and one Pb2+ atom.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-557163

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; TaPbF7; F-Pb-Ta

OSTI Identifier:: 1269723

DOI:: https://doi.org/10.17188/1269723

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                    The Materials Project. Materials Data on TaPbF7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269723.

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                    The Materials Project. Materials Data on TaPbF7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1269723

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                    The Materials Project. 2020.  
"Materials Data on TaPbF7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1269723.  https://www.osti.gov/servlets/purl/1269723. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1269723,

  title        = {Materials Data on TaPbF7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PbTaF7 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ta5+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Ta–F bond distances ranging from 1.93–2.04 Å. Pb2+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Pb–F bond distances ranging from 2.51–2.73 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ta5+ and one Pb2+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Ta5+ and one Pb2+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Ta5+ and two equivalent Pb2+ atoms. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to one Ta5+ and one Pb2+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one Ta5+ and one Pb2+ atom.},

  doi          = {10.17188/1269723},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1269723

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