Materials Data on La5Pb3S by Materials Project

doi:10.17188/1651567

Title: Materials Data on La5Pb3S by Materials Project

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Abstract

La5Pb3S crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 7-coordinate geometry to five equivalent Pb and two equivalent S atoms. There are a spread of La–Pb bond distances ranging from 3.37–3.89 Å. Both La–S bond lengths are 2.93 Å. In the second La site, La is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All La–Pb bond lengths are 3.46 Å. Pb is bonded in a 9-coordinate geometry to nine La atoms. S is bonded to six equivalent La atoms to form face-sharing SLa6 octahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-24

Other Number(s):: mp-1188606

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; La5Pb3S; La-Pb-S

OSTI Identifier:: 1651567

DOI:: https://doi.org/10.17188/1651567

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                    The Materials Project. Materials Data on La5Pb3S by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1651567.

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                    The Materials Project. Materials Data on La5Pb3S by Materials Project.  United States.  doi:https://doi.org/10.17188/1651567

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                    The Materials Project. 2020.  
"Materials Data on La5Pb3S by Materials Project".  United States.  doi:https://doi.org/10.17188/1651567.  https://www.osti.gov/servlets/purl/1651567. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1651567,

  title        = {Materials Data on La5Pb3S by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La5Pb3S crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 7-coordinate geometry to five equivalent Pb and two equivalent S atoms. There are a spread of La–Pb bond distances ranging from 3.37–3.89 Å. Both La–S bond lengths are 2.93 Å. In the second La site, La is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All La–Pb bond lengths are 3.46 Å. Pb is bonded in a 9-coordinate geometry to nine La atoms. S is bonded to six equivalent La atoms to form face-sharing SLa6 octahedra.},

  doi          = {10.17188/1651567},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1651567

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