Materials Data on La2PbSe4 by Materials Project

doi:10.17188/1206575

Title: Materials Data on La2PbSe4 by Materials Project

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Abstract

La2PbSe4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. La3+ is bonded to eight equivalent Se2- atoms to form distorted LaSe8 hexagonal bipyramids that share corners with four equivalent LaSe8 hexagonal bipyramids, corners with four equivalent PbSe8 hexagonal bipyramids, edges with four equivalent LaSe8 hexagonal bipyramids, faces with four equivalent LaSe8 hexagonal bipyramids, and faces with four equivalent PbSe8 hexagonal bipyramids. There are a spread of La–Se bond distances ranging from 3.05–3.29 Å. Pb2+ is bonded to eight equivalent Se2- atoms to form distorted PbSe8 hexagonal bipyramids that share corners with eight equivalent LaSe8 hexagonal bipyramids, edges with four equivalent PbSe8 hexagonal bipyramids, and faces with eight equivalent LaSe8 hexagonal bipyramids. There are four shorter (3.12 Å) and four longer (3.30 Å) Pb–Se bond lengths. Se2- is bonded in a 6-coordinate geometry to four equivalent La3+ and two equivalent Pb2+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-33406

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; La2PbSe4; La-Pb-Se

OSTI Identifier:: 1206575

DOI:: https://doi.org/10.17188/1206575

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                    The Materials Project. Materials Data on La2PbSe4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1206575.

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                    The Materials Project. Materials Data on La2PbSe4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1206575

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                    The Materials Project. 2020.  
"Materials Data on La2PbSe4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1206575.  https://www.osti.gov/servlets/purl/1206575. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1206575,

  title        = {Materials Data on La2PbSe4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La2PbSe4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. La3+ is bonded to eight equivalent Se2- atoms to form distorted LaSe8 hexagonal bipyramids that share corners with four equivalent LaSe8 hexagonal bipyramids, corners with four equivalent PbSe8 hexagonal bipyramids, edges with four equivalent LaSe8 hexagonal bipyramids, faces with four equivalent LaSe8 hexagonal bipyramids, and faces with four equivalent PbSe8 hexagonal bipyramids. There are a spread of La–Se bond distances ranging from 3.05–3.29 Å. Pb2+ is bonded to eight equivalent Se2- atoms to form distorted PbSe8 hexagonal bipyramids that share corners with eight equivalent LaSe8 hexagonal bipyramids, edges with four equivalent PbSe8 hexagonal bipyramids, and faces with eight equivalent LaSe8 hexagonal bipyramids. There are four shorter (3.12 Å) and four longer (3.30 Å) Pb–Se bond lengths. Se2- is bonded in a 6-coordinate geometry to four equivalent La3+ and two equivalent Pb2+ atoms.},

  doi          = {10.17188/1206575},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1206575

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