Materials Data on Ce2Si5Ni3 by Materials Project

doi:10.17188/1753458

Title: Materials Data on Ce2Si5Ni3 by Materials Project

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Abstract

Ce2Ni3Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Ce3+ is bonded in a 10-coordinate geometry to ten Si+2.40- atoms. There are a spread of Ce–Si bond distances ranging from 2.93–3.13 Å. There are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded in a 6-coordinate geometry to six Si+2.40- atoms. There are four shorter (2.36 Å) and two longer (2.67 Å) Ni–Si bond lengths. In the second Ni2+ site, Ni2+ is bonded in a 5-coordinate geometry to five Si+2.40- atoms. There are a spread of Ni–Si bond distances ranging from 2.32–2.34 Å. There are three inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 9-coordinate geometry to four equivalent Ce3+, three Ni2+, and two equivalent Si+2.40- atoms. Both Si–Si bond lengths are 2.47 Å. In the second Si+2.40- site, Si+2.40- is bonded in a 2-coordinate geometry to four equivalent Ce3+, three Ni2+, and two equivalent Si+2.40- atoms. In the third Si+2.40- site, Si+2.40- is bonded in a 8-coordinate geometry to four equivalent Ce3+ and four equivalent Ni2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1183797

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; Ce2Si5Ni3; Ce-Ni-Si

OSTI Identifier:: 1753458

DOI:: https://doi.org/10.17188/1753458

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                    The Materials Project. Materials Data on Ce2Si5Ni3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1753458.

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                    The Materials Project. Materials Data on Ce2Si5Ni3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1753458

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                    The Materials Project. 2020.  
"Materials Data on Ce2Si5Ni3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1753458.  https://www.osti.gov/servlets/purl/1753458. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1753458,

  title        = {Materials Data on Ce2Si5Ni3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce2Ni3Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Ce3+ is bonded in a 10-coordinate geometry to ten Si+2.40- atoms. There are a spread of Ce–Si bond distances ranging from 2.93–3.13 Å. There are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded in a 6-coordinate geometry to six Si+2.40- atoms. There are four shorter (2.36 Å) and two longer (2.67 Å) Ni–Si bond lengths. In the second Ni2+ site, Ni2+ is bonded in a 5-coordinate geometry to five Si+2.40- atoms. There are a spread of Ni–Si bond distances ranging from 2.32–2.34 Å. There are three inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 9-coordinate geometry to four equivalent Ce3+, three Ni2+, and two equivalent Si+2.40- atoms. Both Si–Si bond lengths are 2.47 Å. In the second Si+2.40- site, Si+2.40- is bonded in a 2-coordinate geometry to four equivalent Ce3+, three Ni2+, and two equivalent Si+2.40- atoms. In the third Si+2.40- site, Si+2.40- is bonded in a 8-coordinate geometry to four equivalent Ce3+ and four equivalent Ni2+ atoms.},

  doi          = {10.17188/1753458},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1753458

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