Materials Data on Ce6SiNi4 by Materials Project

doi:10.17188/1759344

Title: Materials Data on Ce6SiNi4 by Materials Project

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Abstract

Ce6Ni4Si crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 5-coordinate geometry to five Ni atoms. There are a spread of Ce–Ni bond distances ranging from 2.66–2.98 Å. In the second Ce site, Ce is bonded in a 1-coordinate geometry to five equivalent Ni and two equivalent Si atoms. There are a spread of Ce–Ni bond distances ranging from 2.83–3.27 Å. Both Ce–Si bond lengths are 3.01 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to eight Ce and one Si atom. The Ni–Si bond length is 2.38 Å. In the second Ni site, Ni is bonded in a body-centered cubic geometry to six equivalent Ce and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.34 Å. Si is bonded in a distorted q6 geometry to six equivalent Ce and three equivalent Ni atoms.

Authors:: The Materials Project

Publication Date:: 2020-09-03

Other Number(s):: mp-1214252

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; Ce6SiNi4; Ce-Ni-Si

OSTI Identifier:: 1759344

DOI:: https://doi.org/10.17188/1759344

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                    The Materials Project. Materials Data on Ce6SiNi4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1759344.

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                    The Materials Project. Materials Data on Ce6SiNi4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1759344

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                    The Materials Project. 2020.  
"Materials Data on Ce6SiNi4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1759344.  https://www.osti.gov/servlets/purl/1759344. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1759344,

  title        = {Materials Data on Ce6SiNi4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce6Ni4Si crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 5-coordinate geometry to five Ni atoms. There are a spread of Ce–Ni bond distances ranging from 2.66–2.98 Å. In the second Ce site, Ce is bonded in a 1-coordinate geometry to five equivalent Ni and two equivalent Si atoms. There are a spread of Ce–Ni bond distances ranging from 2.83–3.27 Å. Both Ce–Si bond lengths are 3.01 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to eight Ce and one Si atom. The Ni–Si bond length is 2.38 Å. In the second Ni site, Ni is bonded in a body-centered cubic geometry to six equivalent Ce and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.34 Å. Si is bonded in a distorted q6 geometry to six equivalent Ce and three equivalent Ni atoms.},

  doi          = {10.17188/1759344},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1759344

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