Materials Data on La2Si3Ni by Materials Project

doi:10.17188/1707339

Title: Materials Data on La2Si3Ni by Materials Project

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Abstract

La2NiSi3 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. La is bonded to three equivalent Ni and nine Si atoms to form a mixture of edge and face-sharing LaSi9Ni3 cuboctahedra. All La–Ni bond lengths are 3.15 Å. There are three shorter (3.15 Å) and six longer (3.27 Å) La–Si bond lengths. Ni is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Si atoms. All Ni–Si bond lengths are 2.37 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Si atoms. All Si–Si bond lengths are 2.37 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Ni atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Si atoms.

Authors:: The Materials Project

Publication Date:: Mon May 04 00:00:00 EDT 2020

Other Number(s):: mp-1223258

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; La2Si3Ni; La-Ni-Si

OSTI Identifier:: 1707339

DOI:: https://doi.org/10.17188/1707339

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                    The Materials Project. Materials Data on La2Si3Ni by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1707339.

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                    The Materials Project. Materials Data on La2Si3Ni by Materials Project.  United States.  doi:https://doi.org/10.17188/1707339

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                    The Materials Project. 2020.  
"Materials Data on La2Si3Ni by Materials Project".  United States.  doi:https://doi.org/10.17188/1707339.  https://www.osti.gov/servlets/purl/1707339. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1707339,

  title        = {Materials Data on La2Si3Ni by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La2NiSi3 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. La is bonded to three equivalent Ni and nine Si atoms to form a mixture of edge and face-sharing LaSi9Ni3 cuboctahedra. All La–Ni bond lengths are 3.15 Å. There are three shorter (3.15 Å) and six longer (3.27 Å) La–Si bond lengths. Ni is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Si atoms. All Ni–Si bond lengths are 2.37 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Si atoms. All Si–Si bond lengths are 2.37 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Ni atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Si atoms.},

  doi          = {10.17188/1707339},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon May 04 00:00:00 EDT 2020},

  month        = {Mon May 04 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1707339

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