Materials Data on La5Si3 by Materials Project

doi:10.17188/1652283

Title: Materials Data on La5Si3 by Materials Project

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Abstract

La5Si3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent La+2.40+ sites. In the first La+2.40+ site, La+2.40+ is bonded to six equivalent Si4- atoms to form a mixture of corner, edge, and face-sharing LaSi6 octahedra. The corner-sharing octahedral tilt angles are 35°. All La–Si bond lengths are 3.26 Å. In the second La+2.40+ site, La+2.40+ is bonded in a 5-coordinate geometry to five equivalent Si4- atoms. There are a spread of La–Si bond distances ranging from 3.08–3.63 Å. Si4- is bonded in a 9-coordinate geometry to nine La+2.40+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-1189366

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; La5Si3; La-Si

OSTI Identifier:: 1652283

DOI:: https://doi.org/10.17188/1652283

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                    The Materials Project. Materials Data on La5Si3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1652283.

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                    The Materials Project. Materials Data on La5Si3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1652283

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                    The Materials Project. 2020.  
"Materials Data on La5Si3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1652283.  https://www.osti.gov/servlets/purl/1652283. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1652283,

  title        = {Materials Data on La5Si3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La5Si3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent La+2.40+ sites. In the first La+2.40+ site, La+2.40+ is bonded to six equivalent Si4- atoms to form a mixture of corner, edge, and face-sharing LaSi6 octahedra. The corner-sharing octahedral tilt angles are 35°. All La–Si bond lengths are 3.26 Å. In the second La+2.40+ site, La+2.40+ is bonded in a 5-coordinate geometry to five equivalent Si4- atoms. There are a spread of La–Si bond distances ranging from 3.08–3.63 Å. Si4- is bonded in a 9-coordinate geometry to nine La+2.40+ atoms.},

  doi          = {10.17188/1652283},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1652283

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