Materials Data on Ce5Si3 by Materials Project

doi:10.17188/1275562

Title: Materials Data on Ce5Si3 by Materials Project

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Abstract

Ce5Si3 crystallizes in the tetragonal I4/mcm 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 Si atoms. There are a spread of Ce–Si bond distances ranging from 3.01–3.11 Å. In the second Ce site, Ce is bonded to six Si atoms to form corner-sharing CeSi6 octahedra. The corner-sharing octahedra tilt angles range from 0–57°. There are four shorter (3.13 Å) and two longer (3.24 Å) Ce–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted q6 geometry to ten Ce atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to eight Ce and one Si atom. The Si–Si bond length is 2.52 Å.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-570175

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; Ce5Si3; Ce-Si

OSTI Identifier:: 1275562

DOI:: https://doi.org/10.17188/1275562

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                    The Materials Project. Materials Data on Ce5Si3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275562.

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                    The Materials Project. Materials Data on Ce5Si3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275562

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                    The Materials Project. 2020.  
"Materials Data on Ce5Si3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275562.  https://www.osti.gov/servlets/purl/1275562. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1275562,

  title        = {Materials Data on Ce5Si3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce5Si3 crystallizes in the tetragonal I4/mcm 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 Si atoms. There are a spread of Ce–Si bond distances ranging from 3.01–3.11 Å. In the second Ce site, Ce is bonded to six Si atoms to form corner-sharing CeSi6 octahedra. The corner-sharing octahedra tilt angles range from 0–57°. There are four shorter (3.13 Å) and two longer (3.24 Å) Ce–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted q6 geometry to ten Ce atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to eight Ce and one Si atom. The Si–Si bond length is 2.52 Å.},

  doi          = {10.17188/1275562},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1275562

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