Materials Data on La5Pb3O by Materials Project

doi:10.17188/1707148

Title: Materials Data on La5Pb3O by Materials Project

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Abstract

La5Pb3O crystallizes in the tetragonal I4cm space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in a distorted single-bond geometry to five Pb and one O atom. There are a spread of La–Pb bond distances ranging from 3.38–3.66 Å. The La–O bond length is 2.38 Å. In the second La site, La is bonded in a distorted single-bond geometry to five Pb and one O atom. There are a spread of La–Pb bond distances ranging from 3.37–3.65 Å. The La–O bond length is 2.38 Å. In the third La site, La is bonded to six Pb atoms to form distorted corner-sharing LaPb6 octahedra. The corner-sharing octahedra tilt angles range from 0–46°. There are a spread of La–Pb bond distances ranging from 3.38–3.81 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 8-coordinate geometry to eight La atoms. In the second Pb site, Pb is bonded in a 10-coordinate geometry to ten La atoms. O is bonded in a tetrahedral geometry to four La atoms.

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1223153

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; La5Pb3O; La-O-Pb

OSTI Identifier:: 1707148

DOI:: https://doi.org/10.17188/1707148

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                    The Materials Project. Materials Data on La5Pb3O by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1707148.

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                    The Materials Project. Materials Data on La5Pb3O by Materials Project.  United States.  doi:https://doi.org/10.17188/1707148

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                    The Materials Project. 2020.  
"Materials Data on La5Pb3O by Materials Project".  United States.  doi:https://doi.org/10.17188/1707148.  https://www.osti.gov/servlets/purl/1707148. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1707148,

  title        = {Materials Data on La5Pb3O by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La5Pb3O crystallizes in the tetragonal I4cm space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in a distorted single-bond geometry to five Pb and one O atom. There are a spread of La–Pb bond distances ranging from 3.38–3.66 Å. The La–O bond length is 2.38 Å. In the second La site, La is bonded in a distorted single-bond geometry to five Pb and one O atom. There are a spread of La–Pb bond distances ranging from 3.37–3.65 Å. The La–O bond length is 2.38 Å. In the third La site, La is bonded to six Pb atoms to form distorted corner-sharing LaPb6 octahedra. The corner-sharing octahedra tilt angles range from 0–46°. There are a spread of La–Pb bond distances ranging from 3.38–3.81 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 8-coordinate geometry to eight La atoms. In the second Pb site, Pb is bonded in a 10-coordinate geometry to ten La atoms. O is bonded in a tetrahedral geometry to four La atoms.},

  doi          = {10.17188/1707148},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1707148

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