Materials Data on La5S8 by Materials Project

doi:10.17188/1206333

Title: Materials Data on La5S8 by Materials Project

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Abstract

La5S8 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to eight S+1.88- atoms to form a mixture of distorted edge, face, and corner-sharing LaS8 hexagonal bipyramids. There are a spread of La–S bond distances ranging from 2.89–3.15 Å. In the second La3+ site, La3+ is bonded to eight S+1.88- atoms to form a mixture of distorted face and corner-sharing LaS8 hexagonal bipyramids. There are four shorter (2.93 Å) and four longer (3.03 Å) La–S bond lengths. There are two inequivalent S+1.88- sites. In the first S+1.88- site, S+1.88- is bonded to five La3+ atoms to form a mixture of distorted edge, face, and corner-sharing SLa5 square pyramids. In the second S+1.88- site, S+1.88- is bonded to five La3+ atoms to form a mixture of distorted edge, face, and corner-sharing SLa5 trigonal bipyramids.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-32640

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; La5S8; La-S

OSTI Identifier:: 1206333

DOI:: https://doi.org/10.17188/1206333

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                    The Materials Project. Materials Data on La5S8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1206333.

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                    The Materials Project. Materials Data on La5S8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1206333

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                    The Materials Project. 2020.  
"Materials Data on La5S8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1206333.  https://www.osti.gov/servlets/purl/1206333. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1206333,

  title        = {Materials Data on La5S8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La5S8 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to eight S+1.88- atoms to form a mixture of distorted edge, face, and corner-sharing LaS8 hexagonal bipyramids. There are a spread of La–S bond distances ranging from 2.89–3.15 Å. In the second La3+ site, La3+ is bonded to eight S+1.88- atoms to form a mixture of distorted face and corner-sharing LaS8 hexagonal bipyramids. There are four shorter (2.93 Å) and four longer (3.03 Å) La–S bond lengths. There are two inequivalent S+1.88- sites. In the first S+1.88- site, S+1.88- is bonded to five La3+ atoms to form a mixture of distorted edge, face, and corner-sharing SLa5 square pyramids. In the second S+1.88- site, S+1.88- is bonded to five La3+ atoms to form a mixture of distorted edge, face, and corner-sharing SLa5 trigonal bipyramids.},

  doi          = {10.17188/1206333},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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