Materials Data on Yb4Si7 by Materials Project

doi:10.17188/1746602

Title: Materials Data on Yb4Si7 by Materials Project

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Abstract

Yb4Si7 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a 10-coordinate geometry to ten Si+1.71- atoms. There are a spread of Yb–Si bond distances ranging from 3.02–3.64 Å. In the second Yb3+ site, Yb3+ is bonded in a 10-coordinate geometry to ten Si+1.71- atoms. There are a spread of Yb–Si bond distances ranging from 2.97–3.29 Å. There are seven inequivalent Si+1.71- sites. In the first Si+1.71- site, Si+1.71- is bonded in a 7-coordinate geometry to four Yb3+ and four Si+1.71- atoms. There are a spread of Si–Si bond distances ranging from 2.35–2.74 Å. In the second Si+1.71- site, Si+1.71- is bonded in a 8-coordinate geometry to six Yb3+ and two Si+1.71- atoms. The Si–Si bond length is 2.47 Å. In the third Si+1.71- site, Si+1.71- is bonded in a 9-coordinate geometry to six Yb3+ and three Si+1.71- atoms. There are a spread of Si–Si bond distances ranging from 2.34–2.62 Å. In the fourth Si+1.71- site, Si+1.71- is bonded in a 9-coordinate geometry to six Yb3+ and three Si+1.71- atoms. The Si–Si bond length is 2.54 Å. In the fifth Si+1.71- site, Si+1.71-more »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1178782

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; Yb4Si7; Si-Yb

OSTI Identifier:: 1746602

DOI:: https://doi.org/10.17188/1746602

Citation Formats


                    The Materials Project. Materials Data on Yb4Si7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1746602.

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                    The Materials Project. Materials Data on Yb4Si7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1746602

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                    The Materials Project. 2020.  
"Materials Data on Yb4Si7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1746602.  https://www.osti.gov/servlets/purl/1746602. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1746602,

  title        = {Materials Data on Yb4Si7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Yb4Si7 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a 10-coordinate geometry to ten Si+1.71- atoms. There are a spread of Yb–Si bond distances ranging from 3.02–3.64 Å. In the second Yb3+ site, Yb3+ is bonded in a 10-coordinate geometry to ten Si+1.71- atoms. There are a spread of Yb–Si bond distances ranging from 2.97–3.29 Å. There are seven inequivalent Si+1.71- sites. In the first Si+1.71- site, Si+1.71- is bonded in a 7-coordinate geometry to four Yb3+ and four Si+1.71- atoms. There are a spread of Si–Si bond distances ranging from 2.35–2.74 Å. In the second Si+1.71- site, Si+1.71- is bonded in a 8-coordinate geometry to six Yb3+ and two Si+1.71- atoms. The Si–Si bond length is 2.47 Å. In the third Si+1.71- site, Si+1.71- is bonded in a 9-coordinate geometry to six Yb3+ and three Si+1.71- atoms. There are a spread of Si–Si bond distances ranging from 2.34–2.62 Å. In the fourth Si+1.71- site, Si+1.71- is bonded in a 9-coordinate geometry to six Yb3+ and three Si+1.71- atoms. The Si–Si bond length is 2.54 Å. In the fifth Si+1.71- site, Si+1.71- is bonded in a 7-coordinate geometry to four Yb3+ and four Si+1.71- atoms. The Si–Si bond length is 2.37 Å. In the sixth Si+1.71- site, Si+1.71- is bonded in a 8-coordinate geometry to six Yb3+ and two Si+1.71- atoms. In the seventh Si+1.71- site, Si+1.71- is bonded in a 10-coordinate geometry to eight Yb3+ and two Si+1.71- atoms.},

  doi          = {10.17188/1746602},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1746602

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