Materials Data on Ca5MnPb3 by Materials Project

doi:10.17188/1283735

Title: Materials Data on Ca5MnPb3 by Materials Project

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Abstract

Ca5MnPb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 7-coordinate geometry to two equivalent Mn and five equivalent Pb atoms. Both Ca–Mn bond lengths are 3.28 Å. There are a spread of Ca–Pb bond distances ranging from 3.17–3.53 Å. In the second Ca site, Ca is bonded to six equivalent Pb atoms to form a mixture of distorted corner, edge, and face-sharing CaPb6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Ca–Pb bond lengths are 3.50 Å. Mn is bonded to six equivalent Ca atoms to form distorted face-sharing MnCa6 octahedra. Pb is bonded in a 9-coordinate geometry to nine Ca atoms.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-680842

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; Ca5MnPb3; Ca-Mn-Pb

OSTI Identifier:: 1283735

DOI:: https://doi.org/10.17188/1283735

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                    The Materials Project. Materials Data on Ca5MnPb3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1283735.

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                    The Materials Project. Materials Data on Ca5MnPb3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1283735

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                    The Materials Project. 2020.  
"Materials Data on Ca5MnPb3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1283735.  https://www.osti.gov/servlets/purl/1283735. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1283735,

  title        = {Materials Data on Ca5MnPb3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ca5MnPb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 7-coordinate geometry to two equivalent Mn and five equivalent Pb atoms. Both Ca–Mn bond lengths are 3.28 Å. There are a spread of Ca–Pb bond distances ranging from 3.17–3.53 Å. In the second Ca site, Ca is bonded to six equivalent Pb atoms to form a mixture of distorted corner, edge, and face-sharing CaPb6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Ca–Pb bond lengths are 3.50 Å. Mn is bonded to six equivalent Ca atoms to form distorted face-sharing MnCa6 octahedra. Pb is bonded in a 9-coordinate geometry to nine Ca atoms.},

  doi          = {10.17188/1283735},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1283735

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