Materials Data on MgPb2 by Materials Project

doi:10.17188/1758568

Title: Materials Data on MgPb2 by Materials Project

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Abstract

MgPb2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two MgPb2 sheets oriented in the (1, 0, 0) direction. Mg is bonded in a 8-coordinate geometry to eight Pb atoms. There are a spread of Mg–Pb bond distances ranging from 3.24–3.38 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 4-coordinate geometry to four equivalent Mg atoms. In the second Pb site, Pb is bonded in a 4-coordinate geometry to four equivalent Mg atoms.

Authors:: The Materials Project

Publication Date:: 2020-09-03

Other Number(s):: mp-1185928

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; MgPb2; Mg-Pb

OSTI Identifier:: 1758568

DOI:: https://doi.org/10.17188/1758568

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                    The Materials Project. Materials Data on MgPb2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1758568.

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                    The Materials Project. Materials Data on MgPb2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1758568

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                    The Materials Project. 2020.  
"Materials Data on MgPb2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1758568.  https://www.osti.gov/servlets/purl/1758568. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1758568,

  title        = {Materials Data on MgPb2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgPb2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two MgPb2 sheets oriented in the (1, 0, 0) direction. Mg is bonded in a 8-coordinate geometry to eight Pb atoms. There are a spread of Mg–Pb bond distances ranging from 3.24–3.38 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 4-coordinate geometry to four equivalent Mg atoms. In the second Pb site, Pb is bonded in a 4-coordinate geometry to four equivalent Mg atoms.},

  doi          = {10.17188/1758568},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1758568

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Materials Data on MgPb2 by Materials Project

Dataset The Materials Project

MgPb2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to ten equivalent Pb atoms. There are a spread of Mg–Pb bond distances ranging from 3.35–3.53 Å. Pb is bonded in a 12-coordinate geometry to five equivalent Mg and seven equivalent Pb atoms. There are a spread of Pb–Pb bond distances ranging from 3.42–3.52 Å.
Materials Data on MgPb2 by Materials Project

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MgPb2 is Molybdenite structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two MgPb2 sheets oriented in the (0, 0, 1) direction. Mg is bonded in a 12-coordinate geometry to six equivalent Pb atoms. All Mg–Pb bond lengths are 3.20 Å. Pb is bonded in a 12-coordinate geometry to three equivalent Mg atoms.
Materials Data on MgPb2 by Materials Project

Dataset The Materials Project

MgPb2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg is bonded in a 9-coordinate geometry to nine Pb atoms. There are a spread of Mg–Pb bond distances ranging from 3.05–3.47 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 5-coordinate geometry to five equivalent Mg atoms. In the second Pb site, Pb is bonded to four equivalent Mg atoms to form a mixture of distorted edge and corner-sharing PbMg4 tetrahedra.
Materials Data on MgPb2 by Materials Project

Dataset The Materials Project

MgPb2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one MgPb2 sheet oriented in the (0, 0, 1) direction. Mg is bonded in a 7-coordinate geometry to seven Pb atoms. There are a spread of Mg–Pb bond distances ranging from 3.19–3.34 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 4-coordinate geometry to four equivalent Mg atoms. In the second Pb site, Pb is bonded in a 12-coordinate geometry to three equivalent Mg atoms.
Materials Data on MgPb2 by Materials Project

Dataset The Materials Project

MgPb2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to six Pb atoms. There are three shorter (3.22 Å) and three longer (3.26 Å) Mg–Pb bond lengths. There are three inequivalent Pb sites. In the first Pb site, Pb is bonded in a 12-coordinate geometry to three equivalent Mg and three equivalent Pb atoms. All Pb–Pb bond lengths are 3.60 Å. In the second Pb site, Pb is bonded to twelve Pb atoms to form a mixture of corner, edge, and face-sharing PbPb12 cuboctahedra. All Pb–Pb bond lengths are 3.52more »« less

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