Materials Data on Er5Pb4 by Materials Project

doi:10.17188/1656386

Title: Materials Data on Er5Pb4 by Materials Project

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Abstract

Er5Pb4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded to six Pb atoms to form a mixture of distorted face, edge, and corner-sharing ErPb6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 39–41°. There are a spread of Er–Pb bond distances ranging from 3.08–3.27 Å. In the second Er site, Er is bonded in a 7-coordinate geometry to seven Pb atoms. There are a spread of Er–Pb bond distances ranging from 3.13–3.86 Å. In the third Er site, Er is bonded to six Pb atoms to form a mixture of face and corner-sharing ErPb6 octahedra. The corner-sharing octahedra tilt angles range from 46–51°. There are a spread of Er–Pb bond distances ranging from 3.09–3.24 Å. There are three inequivalent Pb sites. In the first Pb site, Pb is bonded in a 9-coordinate geometry to eight Er atoms. In the second Pb site, Pb is bonded in a 7-coordinate geometry to eight Er atoms. In the third Pb site, Pb is bonded in a 8-coordinate geometry to eight Er atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1198040

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; Er5Pb4; Er-Pb

OSTI Identifier:: 1656386

DOI:: https://doi.org/10.17188/1656386

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                    The Materials Project. Materials Data on Er5Pb4 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1656386.

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                    The Materials Project. Materials Data on Er5Pb4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1656386

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                    The Materials Project. 2019.  
"Materials Data on Er5Pb4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1656386.  https://www.osti.gov/servlets/purl/1656386. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1656386,

  title        = {Materials Data on Er5Pb4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Er5Pb4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded to six Pb atoms to form a mixture of distorted face, edge, and corner-sharing ErPb6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 39–41°. There are a spread of Er–Pb bond distances ranging from 3.08–3.27 Å. In the second Er site, Er is bonded in a 7-coordinate geometry to seven Pb atoms. There are a spread of Er–Pb bond distances ranging from 3.13–3.86 Å. In the third Er site, Er is bonded to six Pb atoms to form a mixture of face and corner-sharing ErPb6 octahedra. The corner-sharing octahedra tilt angles range from 46–51°. There are a spread of Er–Pb bond distances ranging from 3.09–3.24 Å. There are three inequivalent Pb sites. In the first Pb site, Pb is bonded in a 9-coordinate geometry to eight Er atoms. In the second Pb site, Pb is bonded in a 7-coordinate geometry to eight Er atoms. In the third Pb site, Pb is bonded in a 8-coordinate geometry to eight Er atoms.},

  doi          = {10.17188/1656386},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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