Materials Data on ErSi3Ni by Materials Project

doi:10.17188/1188746

Title: Materials Data on ErSi3Ni by Materials Project

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Abstract

ErNiSi3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Er3+ is bonded in a 10-coordinate geometry to ten Si+1.33- atoms. There are a spread of Er–Si bond distances ranging from 2.96–3.08 Å. Ni1+ is bonded in a 5-coordinate geometry to five Si+1.33- atoms. There are one shorter (2.25 Å) and four longer (2.27 Å) Ni–Si bond lengths. There are three inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to two equivalent Er3+, two equivalent Ni1+, and five Si+1.33- atoms. There are one shorter (2.36 Å) and four longer (2.77 Å) Si–Si bond lengths. In the second Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to six equivalent Er3+, one Ni1+, and two equivalent Si+1.33- atoms. Both Si–Si bond lengths are 2.38 Å. In the third Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to two equivalent Er3+, two equivalent Ni1+, and five Si+1.33- atoms. The Si–Si bond length is 2.36 Å.

Authors:: The Materials Project

Publication Date:: Sun Apr 26 00:00:00 EDT 2020

Other Number(s):: mp-12386

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; ErSi3Ni; Er-Ni-Si

OSTI Identifier:: 1188746

DOI:: https://doi.org/10.17188/1188746

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                    The Materials Project. Materials Data on ErSi3Ni by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1188746.

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                    The Materials Project. Materials Data on ErSi3Ni by Materials Project.  United States.  doi:https://doi.org/10.17188/1188746

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                    The Materials Project. 2020.  
"Materials Data on ErSi3Ni by Materials Project".  United States.  doi:https://doi.org/10.17188/1188746.  https://www.osti.gov/servlets/purl/1188746. Pub date:Sun Apr 26 00:00:00 EDT 2020

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@article{osti_1188746,

  title        = {Materials Data on ErSi3Ni by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ErNiSi3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Er3+ is bonded in a 10-coordinate geometry to ten Si+1.33- atoms. There are a spread of Er–Si bond distances ranging from 2.96–3.08 Å. Ni1+ is bonded in a 5-coordinate geometry to five Si+1.33- atoms. There are one shorter (2.25 Å) and four longer (2.27 Å) Ni–Si bond lengths. There are three inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to two equivalent Er3+, two equivalent Ni1+, and five Si+1.33- atoms. There are one shorter (2.36 Å) and four longer (2.77 Å) Si–Si bond lengths. In the second Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to six equivalent Er3+, one Ni1+, and two equivalent Si+1.33- atoms. Both Si–Si bond lengths are 2.38 Å. In the third Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to two equivalent Er3+, two equivalent Ni1+, and five Si+1.33- atoms. The Si–Si bond length is 2.36 Å.},

  doi          = {10.17188/1188746},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun Apr 26 00:00:00 EDT 2020},

  month        = {Sun Apr 26 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1188746

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