Materials Data on Pb2BrOF by Materials Project

doi:10.17188/1752990

Title: Materials Data on Pb2BrOF by Materials Project

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Abstract

Pb2OBrF crystallizes in the orthorhombic Cmme space group. The structure is three-dimensional. Pb2+ is bonded in a 4-coordinate geometry to two equivalent O2-, three equivalent Br1-, and two equivalent F1- atoms. Both Pb–O bond lengths are 2.36 Å. There are one shorter (3.33 Å) and two longer (3.57 Å) Pb–Br bond lengths. Both Pb–F bond lengths are 2.58 Å. O2- is bonded to four equivalent Pb2+ atoms to form distorted OPb4 tetrahedra that share corners with four equivalent FPb4 tetrahedra, edges with two equivalent OPb4 tetrahedra, and edges with two equivalent FPb4 tetrahedra. Br1- is bonded in a 8-coordinate geometry to six equivalent Pb2+ atoms. F1- is bonded to four equivalent Pb2+ atoms to form distorted FPb4 tetrahedra that share corners with four equivalent OPb4 tetrahedra, edges with two equivalent OPb4 tetrahedra, and edges with two equivalent FPb4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-09

Other Number(s):: mp-1206495

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; Pb2BrOF; Br-F-O-Pb

OSTI Identifier:: 1752990

DOI:: https://doi.org/10.17188/1752990

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                    The Materials Project. Materials Data on Pb2BrOF by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1752990.

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                    The Materials Project. Materials Data on Pb2BrOF by Materials Project.  United States.  doi:https://doi.org/10.17188/1752990

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                    The Materials Project. 2020.  
"Materials Data on Pb2BrOF by Materials Project".  United States.  doi:https://doi.org/10.17188/1752990.  https://www.osti.gov/servlets/purl/1752990. Pub date:Sat May 09 00:00:00 EDT 2020

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@article{osti_1752990,

  title        = {Materials Data on Pb2BrOF by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pb2OBrF crystallizes in the orthorhombic Cmme space group. The structure is three-dimensional. Pb2+ is bonded in a 4-coordinate geometry to two equivalent O2-, three equivalent Br1-, and two equivalent F1- atoms. Both Pb–O bond lengths are 2.36 Å. There are one shorter (3.33 Å) and two longer (3.57 Å) Pb–Br bond lengths. Both Pb–F bond lengths are 2.58 Å. O2- is bonded to four equivalent Pb2+ atoms to form distorted OPb4 tetrahedra that share corners with four equivalent FPb4 tetrahedra, edges with two equivalent OPb4 tetrahedra, and edges with two equivalent FPb4 tetrahedra. Br1- is bonded in a 8-coordinate geometry to six equivalent Pb2+ atoms. F1- is bonded to four equivalent Pb2+ atoms to form distorted FPb4 tetrahedra that share corners with four equivalent OPb4 tetrahedra, edges with two equivalent OPb4 tetrahedra, and edges with two equivalent FPb4 tetrahedra.},

  doi          = {10.17188/1752990},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1752990

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