Materials Data on Cr2H2Pb4ClO10F by Materials Project

doi:10.17188/1718708

Title: Materials Data on Cr2H2Pb4ClO10F by Materials Project

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Abstract

Cr2Pb4H2O10ClF crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. there are two inequivalent Cr6+ sites. In the first Cr6+ site, Cr6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Cr–O bond distances ranging from 1.65–1.71 Å. In the second Cr6+ site, Cr6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Cr–O bond distances ranging from 1.65–1.71 Å. There are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to seven O2-, one Cl1-, and one F1- atom. There are a spread of Pb–O bond distances ranging from 2.48–3.24 Å. The Pb–Cl bond length is 3.09 Å. The Pb–F bond length is 2.80 Å. In the second Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to seven O2- and one F1- atom. There are a spread of Pb–O bond distances ranging from 2.42–2.95 Å. The Pb–F bond length is 2.51 Å. In the third Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to seven O2- and one F1- atom. There are a spread of Pb–O bond distances ranging from 2.44–2.94 Å. The Pb–F bond lengthmore »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-1226437

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; Cr2H2Pb4ClO10F; Cl-Cr-F-H-O-Pb

OSTI Identifier:: 1718708

DOI:: https://doi.org/10.17188/1718708

Citation Formats


                    The Materials Project. Materials Data on Cr2H2Pb4ClO10F by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1718708.

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                    The Materials Project. Materials Data on Cr2H2Pb4ClO10F by Materials Project.  United States.  doi:https://doi.org/10.17188/1718708

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                    The Materials Project. 2020.  
"Materials Data on Cr2H2Pb4ClO10F by Materials Project".  United States.  doi:https://doi.org/10.17188/1718708.  https://www.osti.gov/servlets/purl/1718708. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1718708,

  title        = {Materials Data on Cr2H2Pb4ClO10F by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cr2Pb4H2O10ClF crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. there are two inequivalent Cr6+ sites. In the first Cr6+ site, Cr6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Cr–O bond distances ranging from 1.65–1.71 Å. In the second Cr6+ site, Cr6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Cr–O bond distances ranging from 1.65–1.71 Å. There are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to seven O2-, one Cl1-, and one F1- atom. There are a spread of Pb–O bond distances ranging from 2.48–3.24 Å. The Pb–Cl bond length is 3.09 Å. The Pb–F bond length is 2.80 Å. In the second Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to seven O2- and one F1- atom. There are a spread of Pb–O bond distances ranging from 2.42–2.95 Å. The Pb–F bond length is 2.51 Å. In the third Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to seven O2- and one F1- atom. There are a spread of Pb–O bond distances ranging from 2.44–2.94 Å. The Pb–F bond length is 2.53 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Cr6+ and two equivalent Pb2+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Cr6+ and two equivalent Pb2+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one Cr6+ and three Pb2+ atoms. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Cr6+ and three Pb2+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Cr6+ and three Pb2+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Cr6+ and three Pb2+ atoms. In the seventh O2- site, O2- is bonded in a single-bond geometry to three Pb2+ and one H1+ atom. Cl1- is bonded in a 2-coordinate geometry to two equivalent Pb2+ atoms. F1- is bonded in a 4-coordinate geometry to four Pb2+ atoms.},

  doi          = {10.17188/1718708},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1718708

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