Materials Data on Sc6Pb5 by Materials Project

doi:10.17188/1281839

Title: Materials Data on Sc6Pb5 by Materials Project

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Abstract

Sc6Pb5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are three inequivalent Sc sites. In the first Sc site, Sc is bonded in a 6-coordinate geometry to six Pb atoms. There are a spread of Sc–Pb bond distances ranging from 2.96–3.15 Å. In the second Sc site, Sc is bonded to seven Pb atoms to form a mixture of distorted edge, corner, and face-sharing ScPb7 pentagonal bipyramids. There are a spread of Sc–Pb bond distances ranging from 2.91–3.45 Å. In the third Sc site, Sc is bonded to seven Pb atoms to form a mixture of distorted edge, corner, and face-sharing ScPb7 pentagonal bipyramids. There are a spread of Sc–Pb bond distances ranging from 2.89–3.36 Å. There are three inequivalent Pb sites. In the first Pb site, Pb is bonded in a 7-coordinate geometry to seven Sc atoms. In the second Pb site, Pb is bonded in a 9-coordinate geometry to nine Sc atoms. In the third Pb site, Pb is bonded in a 10-coordinate geometry to eight Sc atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-672313

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; Sc6Pb5; Pb-Sc

OSTI Identifier:: 1281839

DOI:: https://doi.org/10.17188/1281839

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                    The Materials Project. Materials Data on Sc6Pb5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1281839.

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                    The Materials Project. Materials Data on Sc6Pb5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1281839

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                    The Materials Project. 2020.  
"Materials Data on Sc6Pb5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1281839.  https://www.osti.gov/servlets/purl/1281839. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1281839,

  title        = {Materials Data on Sc6Pb5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sc6Pb5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are three inequivalent Sc sites. In the first Sc site, Sc is bonded in a 6-coordinate geometry to six Pb atoms. There are a spread of Sc–Pb bond distances ranging from 2.96–3.15 Å. In the second Sc site, Sc is bonded to seven Pb atoms to form a mixture of distorted edge, corner, and face-sharing ScPb7 pentagonal bipyramids. There are a spread of Sc–Pb bond distances ranging from 2.91–3.45 Å. In the third Sc site, Sc is bonded to seven Pb atoms to form a mixture of distorted edge, corner, and face-sharing ScPb7 pentagonal bipyramids. There are a spread of Sc–Pb bond distances ranging from 2.89–3.36 Å. There are three inequivalent Pb sites. In the first Pb site, Pb is bonded in a 7-coordinate geometry to seven Sc atoms. In the second Pb site, Pb is bonded in a 9-coordinate geometry to nine Sc atoms. In the third Pb site, Pb is bonded in a 10-coordinate geometry to eight Sc atoms.},

  doi          = {10.17188/1281839},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1281839

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