Materials Data on Tm5Pb4 by Materials Project

doi:10.17188/1672359

Title: Materials Data on Tm5Pb4 by Materials Project

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Abstract

Tm5Pb4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Tm sites. In the first Tm site, Tm is bonded to six Pb atoms to form a mixture of distorted corner, edge, and face-sharing TmPb6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 39–41°. There are a spread of Tm–Pb bond distances ranging from 3.07–3.26 Å. In the second Tm site, Tm is bonded in a 7-coordinate geometry to seven Pb atoms. There are a spread of Tm–Pb bond distances ranging from 3.12–3.85 Å. In the third Tm site, Tm is bonded to six Pb atoms to form a mixture of corner and face-sharing TmPb6 octahedra. The corner-sharing octahedra tilt angles range from 45–51°. There are a spread of Tm–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 Tm atoms. In the second Pb site, Pb is bonded in a 7-coordinate geometry to eight Tm atoms. In the third Pb site, Pb is bonded in a 8-coordinate geometry to eight Tm atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1204885

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; Tm5Pb4; Pb-Tm

OSTI Identifier:: 1672359

DOI:: https://doi.org/10.17188/1672359

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                    The Materials Project. Materials Data on Tm5Pb4 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1672359.

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                    The Materials Project. Materials Data on Tm5Pb4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1672359

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                    The Materials Project. 2019.  
"Materials Data on Tm5Pb4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1672359.  https://www.osti.gov/servlets/purl/1672359. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1672359,

  title        = {Materials Data on Tm5Pb4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tm5Pb4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Tm sites. In the first Tm site, Tm is bonded to six Pb atoms to form a mixture of distorted corner, edge, and face-sharing TmPb6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 39–41°. There are a spread of Tm–Pb bond distances ranging from 3.07–3.26 Å. In the second Tm site, Tm is bonded in a 7-coordinate geometry to seven Pb atoms. There are a spread of Tm–Pb bond distances ranging from 3.12–3.85 Å. In the third Tm site, Tm is bonded to six Pb atoms to form a mixture of corner and face-sharing TmPb6 octahedra. The corner-sharing octahedra tilt angles range from 45–51°. There are a spread of Tm–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 Tm atoms. In the second Pb site, Pb is bonded in a 7-coordinate geometry to eight Tm atoms. In the third Pb site, Pb is bonded in a 8-coordinate geometry to eight Tm atoms.},

  doi          = {10.17188/1672359},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1672359

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