Materials Data on SrPbF6 by Materials Project

doi:10.17188/1262002

Title: Materials Data on SrPbF6 by Materials Project

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Abstract

SrPbF6 crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Sr2+ is bonded in a distorted q6 geometry to ten F1- atoms. There are two shorter (2.73 Å) and eight longer (2.79 Å) Sr–F bond lengths. Pb4+ is bonded to six F1- atoms to form corner-sharing PbF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.08 Å) and two longer (2.15 Å) Pb–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one Pb4+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Sr2+ atoms. In the third F1- site, F1- is bonded in a linear geometry to two equivalent Pb4+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-504677

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; SrPbF6; F-Pb-Sr

OSTI Identifier:: 1262002

DOI:: https://doi.org/10.17188/1262002

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                    The Materials Project. Materials Data on SrPbF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262002.

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                    The Materials Project. Materials Data on SrPbF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1262002

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                    The Materials Project. 2020.  
"Materials Data on SrPbF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1262002.  https://www.osti.gov/servlets/purl/1262002. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1262002,

  title        = {Materials Data on SrPbF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrPbF6 crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Sr2+ is bonded in a distorted q6 geometry to ten F1- atoms. There are two shorter (2.73 Å) and eight longer (2.79 Å) Sr–F bond lengths. Pb4+ is bonded to six F1- atoms to form corner-sharing PbF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.08 Å) and two longer (2.15 Å) Pb–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one Pb4+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Sr2+ atoms. In the third F1- site, F1- is bonded in a linear geometry to two equivalent Pb4+ atoms.},

  doi          = {10.17188/1262002},

  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/10.17188/1262002

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